N-cyclohexyl-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-cyclohexyl-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
N-cyclohexyl-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-7267 |
| Compound Name: | N-cyclohexyl-4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | C1CCC(CC1)NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCc2cccc(c2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4594 |
| logD: | 5.4594 |
| logSw: | -5.7208 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.291 |
| InChI Key: | BFRJBGWCZNQOQE-UHFFFAOYSA-N |