2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8781 |
| Compound Name: | 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C27 H31 N3 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)OC)c2ccc(C(C)(C)C)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2642 |
| logD: | 5.2642 |
| logSw: | -5.1566 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.939 |
| InChI Key: | YSGJICMERDHBRE-QHCPKHFHSA-N |