2-amino-1-(4-bromophenyl)-4-(4-bromothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromophenyl)-4-(4-bromothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromophenyl)-4-(4-bromothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-6278 |
| Compound Name: | 2-amino-1-(4-bromophenyl)-4-(4-bromothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.23 |
| Molecular Formula: | C20 H15 Br2 N3 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)[Br])c2cc(cs2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5542 |
| logD: | 4.5542 |
| logSw: | -4.6284 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | RNIFRDAXKJCRAT-SFHVURJKSA-N |