7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-7096 |
| Compound Name: | 7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 431.6 |
| Molecular Formula: | C20 H21 N3 O2 S3 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCC=C)s2)=O)c2ccsc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8681 |
| logD: | 3.8681 |
| logSw: | -3.9911 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.284 |
| InChI Key: | UFQDBJPXIVEBOS-CYBMUJFWSA-N |