TL;DR: 3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide (CAS 1043569-96-5) is a chemical compound with molecular formula C25H21N5O4S2 and molecular weight 519.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
Also Known As: 3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide, F6548-3800, 3-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
| Molecular Formula | C25H21N5O4S2 |
| Molecular Weight | 519.1035 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.1035 Da |
| Heavy Atoms | 36 |
| Complexity | 923.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC(C(=O)N3C(=N2)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC(=O)NCC5=CC=CS5 |
| InChIKey | QDYYDWHRMHZAIB-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-(5-{[(3-nitrophenyl)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 173.0 Ų indicates high polarity, suggesting 3-(5-{[(3-nitrophenyl)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-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide is 1043569-96-5.
The molecular formula of 3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide is C25H21N5O4S2.
The molecular weight of 3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide is 519.1035 g/mol.
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