2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-5622 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 468.41 |
| Molecular Formula: | C23 H22 Br N3 O S |
| Smiles: | Cc1cccc(c1)N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8619 |
| logD: | 4.8619 |
| logSw: | -4.8297 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | ACFIHWLVFNGDTL-FQEVSTJZSA-N |