2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016257 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NC1CCCCC1)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.2136 |
| logD: | 4.2136 |
| logSw: | -4.2449 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.923 |
| InChI Key: | ICLGOKZNSDEUMI-UHFFFAOYSA-N |