4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4741 |
| Compound Name: | 4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 505.68 |
| Molecular Formula: | C29 H35 N3 O3 S |
| Smiles: | Cc1ccc(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCC2CCCO2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5443 |
| logD: | 4.5443 |
| logSw: | -4.4619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.031 |
| InChI Key: | PVWZHZJPNGJDNX-FOJYNEPKSA-N |