N-cyclopentyl-3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0155 |
| Compound Name: | N-cyclopentyl-3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(NC1CCCC1)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.555 |
| logD: | 5.554 |
| logSw: | -5.3723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.046 |
| InChI Key: | MWXOEBFXGBMUPA-UHFFFAOYSA-N |