TL;DR: 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one (CAS 1028685-39-3) is a chemical compound with molecular formula C25H25N5O4S and molecular weight 491.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
Also Known As: 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one, F6548-3610, 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one, 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-3-one, 2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl}-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one
| Molecular Formula | C25H25N5O4S |
| Molecular Weight | 491.16272 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.16272 Da |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4C(=O)N5C(=C6C=CC=CC6=NC5=S)N4 |
| InChIKey | YZFPGZMVEXGCRZ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one. Following Lipinski's Rule of Five, 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one is 1028685-39-3.
The molecular formula of 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one is C25H25N5O4S.
The molecular weight of 2-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one is 491.16272 g/mol.
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