N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0060874 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6889 |
| logD: | 4.6863 |
| logSw: | -4.309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.015 |
| InChI Key: | WKOKKLBHQBMCMS-UHFFFAOYSA-N |