3-benzyl-N-cyclopentyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-cyclopentyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-N-cyclopentyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0065 |
| Compound Name: | 3-benzyl-N-cyclopentyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.111 |
| logD: | 5.111 |
| logSw: | -5.3029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.657 |
| InChI Key: | XRNMGKAYWQKQMB-UHFFFAOYSA-N |