TL;DR: 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide (CAS 1024377-36-3) is a chemical compound with molecular formula C24H19N5O4S2 and molecular weight 505.08786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide, F6548-3880, 2-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
| Molecular Formula | C24H19N5O4S2 |
| Molecular Weight | 505.08786 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.08786 Da |
| Heavy Atoms | 35 |
| Complexity | 907.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC4=CC(=CC=C4)[N+](=O)[O-])CC(=O)NCC5=CC=CS5 |
| InChIKey | ADMHYVXPWMIIGB-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide is 1024377-36-3.
The molecular formula of 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide is C24H19N5O4S2.
The molecular weight of 2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide is 505.08786 g/mol.
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