N-benzyl-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4711 |
| Compound Name: | N-benzyl-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 511.69 |
| Molecular Formula: | C31 H33 N3 O2 S |
| Smiles: | Cc1ccc(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6685 |
| logD: | 5.6685 |
| logSw: | -5.5057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.376 |
| InChI Key: | AOYFLQZWSKGTNO-UHFFFAOYSA-N |