2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-7137 |
| Compound Name: | 2-amino-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 564.13 |
| Molecular Formula: | C28 H26 Cl N5 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2nnc(SCc3ccccc3[Cl])s2)c2cccc(c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5356 |
| logD: | 5.5356 |
| logSw: | -5.9066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.329 |
| InChI Key: | IXFUOJCYCUSSOS-QHCPKHFHSA-N |