N-[(2-chlorophenyl)methyl]-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3406 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 577.1 |
| Molecular Formula: | C30 H29 Cl N4 O4 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1669 |
| logD: | 6.1669 |
| logSw: | -6.1574 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.758 |
| InChI Key: | JWECNKASVSSLRI-UHFFFAOYSA-N |