2-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
Chemical Structure Depiction of
2-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
2-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | C066-4133 |
| Compound Name: | 2-(2,4-dichlorophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide |
| Molecular Weight: | 445.35 |
| Molecular Formula: | C22 H22 Cl2 N4 O2 |
| Smiles: | CC(C(Nc1ccc(cc1)c1nnc2CCCCCn12)=O)Oc1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9358 |
| logD: | 4.9354 |
| logSw: | -5.0016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.229 |
| InChI Key: | LFOLPLFWLWNEBW-AWEZNQCLSA-N |