TL;DR: 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide (CAS 1037168-74-3) is a chemical compound with molecular formula C27H25N5O4S2 and molecular weight 547.1348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
Also Known As: 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide, K279-0898, F6548-3809, 3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
| Molecular Formula | C27H25N5O4S2 |
| Molecular Weight | 547.1348 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 547.1348 Da |
| Heavy Atoms | 38 |
| Complexity | 960.0 |
| SMILES | COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CCC(=O)NCC5=CC=CS5 |
| InChIKey | WPTUDCPVYYVAKD-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide is 1037168-74-3.
The molecular formula of 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide is C27H25N5O4S2.
The molecular weight of 3-[5-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]-N-[(thiophen-2-yl)methyl]propanamide is 547.1348 g/mol.
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