TL;DR: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one (CAS 1028685-14-4) is a chemical compound with molecular formula C23H22FN5O2S and molecular weight 451.14783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
Also Known As: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one, BRD-A68646881-001-01-8, F0920-6614, 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one, 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one
| Molecular Formula | C23H22FN5O2S |
| Molecular Weight | 451.14783 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.14783 Da |
| Heavy Atoms | 32 |
| Complexity | 942.0 |
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC3C(=O)N4C(=C5C=CC=CC5=NC4=S)N3 |
| InChIKey | ICKFMRVXEULVOS-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[4-(4-fluorophenyl)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-(4-fluorophenyl)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 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one is 1028685-14-4.
The molecular formula of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one is C23H22FN5O2S.
The molecular weight of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one is 451.14783 g/mol.
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