1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-3719 |
| Compound Name: | 1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | CCSc1nnc(N2C3CC(C)(C)CC(C=3C(CC2=O)c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7833 |
| logD: | 3.7833 |
| logSw: | -3.9841 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.648 |
| InChI Key: | DVQQSNVYQSTRMZ-CQSZACIVSA-N |