N-(3-chlorophenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(3-chlorophenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0363 |
| Compound Name: | N-(3-chlorophenyl)-2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 320.78 |
| Molecular Formula: | C15 H17 Cl N4 O2 |
| Smiles: | CN1C(N2C(CCCCC2=N1)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5673 |
| logD: | 2.5668 |
| logSw: | -3.4297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.262 |
| InChI Key: | YVEDEEOAHSRPLM-LBPRGKRZSA-N |