1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-8092 |
| Compound Name: | 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 527.02 |
| Molecular Formula: | C24 H19 Cl N4 O4 S2 |
| Smiles: | C1CC2=C(C(CC(N2c2nnc(SCc3ccccc3[Cl])s2)=O)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8431 |
| logD: | 4.8431 |
| logSw: | -5.1198 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.376 |
| InChI Key: | CNLQLTWFSZAHKD-QGZVFWFLSA-N |