2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-7127 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 581.68 |
| Molecular Formula: | C29 H26 F3 N5 O S2 |
| Smiles: | Cc1ccccc1C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1nnc(SCc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2209 |
| logD: | 6.2209 |
| logSw: | -5.6685 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.785 |
| InChI Key: | NNQMFBBTVQKJES-QHCPKHFHSA-N |