7-[4-(methoxymethyl)piperidine-1-carbonyl]-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-[4-(methoxymethyl)piperidine-1-carbonyl]-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-[4-(methoxymethyl)piperidine-1-carbonyl]-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0201 |
| Compound Name: | 7-[4-(methoxymethyl)piperidine-1-carbonyl]-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C23 H32 N4 O4 |
| Smiles: | COCC1CCN(CC1)C(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7814 |
| logD: | 2.7814 |
| logSw: | -2.9539 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.984 |
| InChI Key: | GFQURKDSNGDJLE-LJQANCHMSA-N |