1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(thiophen-2-yl)-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)-7,7-dimethyl-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-5810 |
| Compound Name: | 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 516.1 |
| Molecular Formula: | C24 H22 Cl N3 O2 S3 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCc3ccccc3[Cl])s2)=O)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2557 |
| logD: | 5.2557 |
| logSw: | -5.6679 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.013 |
| InChI Key: | BOOPHPZJMPSMOB-OAHLLOKOSA-N |