2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-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)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-1023 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C24 H21 N3 O4 |
| Smiles: | COc1ccc(cc1)N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0023 |
| logD: | 3.0023 |
| logSw: | -3.402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.036 |
| InChI Key: | LXWAFRZGRPUZHS-JOCHJYFZSA-N |