2-amino-4-(5-bromothiophen-2-yl)-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-(5-bromothiophen-2-yl)-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-(5-bromothiophen-2-yl)-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: | 8009-1669 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-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: | 511.46 |
| Molecular Formula: | C23 H19 Br N4 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(C(C#N)=C1N)c1ccc(s1)[Br])=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6847 |
| logD: | 4.6847 |
| logSw: | -4.9063 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.441 |
| InChI Key: | DAMSYIQFQXBSHW-FQEVSTJZSA-N |