N-[2-(morpholin-4-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(morpholin-4-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-[2-(morpholin-4-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0172 |
| Compound Name: | N-[2-(morpholin-4-yl)ethyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | C1CC2=NN(CCOc3ccccc3)C(N2CCC1C(NCCN1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2218 |
| logD: | 1.1311 |
| logSw: | -1.6381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.058 |
| InChI Key: | JGWPHYWNHIZQPI-GOSISDBHSA-N |