7-(4-ethylpiperazine-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-ethylpiperazine-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-ethylpiperazine-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: | S906-0156 |
| Compound Name: | 7-(4-ethylpiperazine-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: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | CCN1CCN(CC1)C(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9854 |
| logD: | 1.5459 |
| logSw: | -1.8715 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.097 |
| InChI Key: | LCPQJAMEDOYWAH-GOSISDBHSA-N |