N-[(2-chlorophenyl)methyl]-4-{[2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3397 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 560.16 |
| Molecular Formula: | C32 H34 Cl N3 O2 S |
| Smiles: | Cc1ccc(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCc2ccccc2[Cl])=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.3934 |
| logD: | 7.3934 |
| logSw: | -6.2592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.376 |
| InChI Key: | YFSYHIDBGQKMSW-UHFFFAOYSA-N |