N-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016317 |
| Compound Name: | N-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NC1CCCCC1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0894 |
| logD: | 6.0894 |
| logSw: | -5.305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.541 |
| InChI Key: | GJSNCVZKZOXTGC-UHFFFAOYSA-N |