4-(2,3-dichlorophenyl)-7,7-dimethyl-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(2,3-dichlorophenyl)-7,7-dimethyl-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(2,3-dichlorophenyl)-7,7-dimethyl-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-7097 |
| Compound Name: | 4-(2,3-dichlorophenyl)-7,7-dimethyl-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 468.42 |
| Molecular Formula: | C20 H19 Cl2 N3 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SC)s2)=O)c2cccc(c2[Cl])[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8072 |
| logD: | 4.8072 |
| logSw: | -4.8139 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.266 |
| InChI Key: | VGPKAJOKVWHUQL-NSHDSACASA-N |