TL;DR: N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide (CAS 1028685-46-2) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-methoxyphenyl)methyl]-3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
Also Known As: N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide, BRD-A56955693-001-01-5, F6548-3615, N-[(3-methoxyphenyl)methyl]-3-(3-oxo-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
| Molecular Formula | C21H20N4O3S |
| Molecular Weight | 408.1256 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.1256 Da |
| Heavy Atoms | 29 |
| Complexity | 845.0 |
| SMILES | COC1=CC=CC(=C1)CNC(=O)CCC2C(=O)N3C(=C4C=CC=CC4=NC3=S)N2 |
| InChIKey | IUJGARDQCDTAQU-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide. Following Lipinski's Rule of Five, N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is 1028685-46-2.
The molecular formula of N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is C21H20N4O3S.
The molecular weight of N-[(3-methoxyphenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is 408.1256 g/mol.
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