TL;DR: 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide (CAS 1043868-13-8) is a chemical compound with molecular formula C23H23N5O4S and molecular weight 465.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(2-amino-2-oxoethyl)sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
Also Known As: 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide, F6548-3737, 3-[5-(2-amino-2-oxoethyl)sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
| Molecular Formula | C23H23N5O4S |
| Molecular Weight | 465.14706 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.14706 Da |
| Heavy Atoms | 33 |
| Complexity | 824.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)N |
| InChIKey | BYGRJULBODAYFJ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide has 2 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 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide is 1043868-13-8.
The molecular formula of 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide is C23H23N5O4S.
The molecular weight of 3-{5-[(carbamoylmethyl)sulfanyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl}-N-[(4-methoxyphenyl)methyl]propanamide is 465.14706 g/mol.
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