3-oxo-2-(2-phenoxyethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
3-oxo-2-(2-phenoxyethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-oxo-2-(2-phenoxyethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0163 |
| Compound Name: | 3-oxo-2-(2-phenoxyethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | C1CCN(C1)CCNC(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9644 |
| logD: | -0.2761 |
| logSw: | -2.1343 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.515 |
| InChI Key: | HCOZCLSLYLLSEL-GOSISDBHSA-N |