4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4758 |
| Compound Name: | 4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C28 H32 N4 O5 S |
| Smiles: | C1CC(CNC(C2CCC(CC2)CN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2)[N+]([O-])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0466 |
| logD: | 4.0466 |
| logSw: | -4.328 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.412 |
| InChI Key: | UBUYYBSZQUSQRC-POOLCLQXSA-N |