3-oxo-2-(2-phenoxyethyl)-N-[(thiophen-2-yl)methyl]-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-[(thiophen-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-oxo-2-(2-phenoxyethyl)-N-[(thiophen-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0167 |
| Compound Name: | 3-oxo-2-(2-phenoxyethyl)-N-[(thiophen-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | C1CC2=NN(CCOc3ccccc3)C(N2CCC1C(NCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8844 |
| logD: | 2.8844 |
| logSw: | -3.1823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.344 |
| InChI Key: | QXXIAGHXWFCPPR-INIZCTEOSA-N |