2-amino-4-(4-bromophenyl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromophenyl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-bromophenyl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-7714 |
| Compound Name: | 2-amino-4-(4-bromophenyl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.44 |
| Molecular Formula: | C25 H21 Br N4 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(C(C#N)=C1N)c1ccc(cc1)[Br])=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8471 |
| logD: | 4.8471 |
| logSw: | -5.0757 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.423 |
| InChI Key: | VLHFAWVKMDIHJJ-JOCHJYFZSA-N |