1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-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-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-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)-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
Compound ID: | 8015-7098 |
Compound Name: | 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
Molecular Weight: | 555.07 |
Molecular Formula: | C26 H23 Cl N4 O4 S2 |
Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCc3ccccc3[Cl])s2)=O)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4681 |
logD: | 5.4681 |
logSw: | -5.9551 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 84.376 |
InChI Key: | VDARTNPSKWQPBI-GOSISDBHSA-N |