1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | C202-3000 |
| Compound Name: | 1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C27 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)c1cnc(N2C3CC(CC(C=3C=C(C#N)C2=O)=O)c2ccccc2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7172 |
| logD: | 5.7172 |
| logSw: | -5.3497 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.435 |
| InChI Key: | POBSWBVGUOVTGD-FQEVSTJZSA-N |