2-amino-1-(2-bromo-5-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-bromo-5-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-bromo-5-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0525 |
| Compound Name: | 2-amino-1-(2-bromo-5-methylphenyl)-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 500.48 |
| Molecular Formula: | C23 H22 Br N3 O S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cc(C)ccc1[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3448 |
| logD: | 5.3448 |
| logSw: | -5.2345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | MYJFWRXLZMJUFO-FQEVSTJZSA-N |