2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-1071 |
| Compound Name: | 2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 474.81 |
| Molecular Formula: | C21 H17 Br Cl N3 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C2CCCC(C=2C(C(C#N)=C1N)c1cc(cs1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8292 |
| logD: | 4.8292 |
| logSw: | -4.818 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | OKDUDEQFLMUBGP-IBGZPJMESA-N |