2-amino-4-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-5521 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)OC)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6273 |
| logD: | 3.6273 |
| logSw: | -4.0866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.036 |
| InChI Key: | CHJLHPNCAWYGSV-HSZRJFAPSA-N |