7,7-dimethyl-4-phenyl-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
7,7-dimethyl-4-phenyl-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
7,7-dimethyl-4-phenyl-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: | 8015-5814 |
| Compound Name: | 7,7-dimethyl-4-phenyl-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C22 H25 N3 O2 S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CC(C)(C)CC(C=3C(CC2=O)c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3322 |
| logD: | 4.3322 |
| logSw: | -4.3315 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.266 |
| InChI Key: | NWKGFKGZRJFJDX-OAHLLOKOSA-N |