7,7-dimethyl-4-(3-nitrophenyl)-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-(3-nitrophenyl)-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-(3-nitrophenyl)-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: | 8015-5813 |
| Compound Name: | 7,7-dimethyl-4-(3-nitrophenyl)-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C22 H24 N4 O4 S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CC(C)(C)CC(C=3C(CC2=O)c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.237 |
| logD: | 4.237 |
| logSw: | -4.4545 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.648 |
| InChI Key: | NDUQRBZCBSXNNX-OAHLLOKOSA-N |