2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0301 |
| Compound Name: | 2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C20 H19 Cl N6 O |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2nc[nH]n2)c2cccc(c2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2345 |
| logD: | 2.2345 |
| logSw: | -3.3024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.007 |
| InChI Key: | ZNURJLKLWZRQKO-MRXNPFEDSA-N |