2-amino-1-(4-bromophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-9354 |
| Compound Name: | 2-amino-1-(4-bromophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 440.36 |
| Molecular Formula: | C21 H18 Br N3 O S |
| Smiles: | Cc1ccsc1C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1754 |
| logD: | 4.1754 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | WGDCJYRIUBXLED-SFHVURJKSA-N |