3-(adamantan-1-yl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(adamantan-1-yl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(adamantan-1-yl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-7206 |
| Compound Name: | 3-(adamantan-1-yl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | COc1ccc(CSC2=Nc3ccccc3C(N2C23CC4CC(CC(C4)C3)C2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9418 |
| logD: | 4.9418 |
| logSw: | -4.7906 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.562 |
| InChI Key: | QUWPYCKBAYNWLL-UHFFFAOYSA-N |