4-(4-chlorophenyl)-7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(4-chlorophenyl)-7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(4-chlorophenyl)-7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-3196 |
| Compound Name: | 4-(4-chlorophenyl)-7,7-dimethyl-1-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 460.02 |
| Molecular Formula: | C22 H22 Cl N3 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCC=C)s2)=O)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7139 |
| logD: | 4.7139 |
| logSw: | -5.0662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.266 |
| InChI Key: | JAFPOESWYOXARI-HNNXBMFYSA-N |