TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide (CAS 1028072-51-6) is a chemical compound with molecular formula C28H23FN4O4S and molecular weight 530.1424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide, BRD-A73323892-001-01-4, F6548-3693, N-(1,3-benzodioxol-5-ylmethyl)-3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-{5-[(2-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}propanamide
| Molecular Formula | C28H23FN4O4S |
| Molecular Weight | 530.1424 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.1424 Da |
| Heavy Atoms | 38 |
| Complexity | 963.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC6=CC=CC=C6F |
| InChIKey | PRUDCPCIUKNUDN-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 1028072-51-6.
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is C28H23FN4O4S.
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 530.1424 g/mol.
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