2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8134 |
| Compound Name: | 2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 509.07 |
| Molecular Formula: | C27 H29 Cl N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[Cl])c2cc(CN3CCOCC3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6298 |
| logD: | 2.7359 |
| logSw: | -4.0036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.036 |
| InChI Key: | XPFZXTUSGGUGOJ-XMMPIXPASA-N |