2-[(cyanomethyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016252 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCCC1CCCCC=1)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.185 |
| logD: | 4.185 |
| logSw: | -4.1182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.231 |
| InChI Key: | VGDRBYFGUMMLGD-UHFFFAOYSA-N |