N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061114 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccc(cc2NC1=S)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4463 |
| logD: | 3.4395 |
| logSw: | -3.8038 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.414 |
| InChI Key: | ZIQCIJVUWMYOKM-UHFFFAOYSA-N |