4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4648 |
| Compound Name: | 4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC#N)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6827 |
| logD: | 3.6827 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.981 |
| InChI Key: | LHKCQZMVSUWOBQ-UHFFFAOYSA-N |