1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-8129 |
| Compound Name: | 1-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 488.05 |
| Molecular Formula: | C22 H18 Cl N3 O2 S3 |
| Smiles: | C1CC2=C(C(CC(N2c2nnc(SCc3ccc(cc3)[Cl])s2)=O)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2891 |
| logD: | 4.2891 |
| logSw: | -4.666 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.013 |
| InChI Key: | RHCBCRTWGXDZAV-OAHLLOKOSA-N |