N-benzyl-4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4703 |
| Compound Name: | N-benzyl-4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C32 H34 N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(NCc1ccccc1)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.602 |
| logD: | 4.602 |
| logSw: | -4.6021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.848 |
| InChI Key: | IAEAOERTTOMELA-UHFFFAOYSA-N |