4-(2,4-dichlorophenyl)-7,7-dimethyl-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(2,4-dichlorophenyl)-7,7-dimethyl-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(2,4-dichlorophenyl)-7,7-dimethyl-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-5854 |
| Compound Name: | 4-(2,4-dichlorophenyl)-7,7-dimethyl-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 496.48 |
| Molecular Formula: | C22 H23 Cl2 N3 O2 S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CC(C)(C)CC(C=3C(CC2=O)c2ccc(cc2[Cl])[Cl])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8268 |
| logD: | 5.8268 |
| logSw: | -5.991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.266 |
| InChI Key: | PLLNJPATVFAXOZ-AWEZNQCLSA-N |