2-ethyl-7-(4-phenylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-ethyl-7-(4-phenylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-ethyl-7-(4-phenylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0337 |
| Compound Name: | 2-ethyl-7-(4-phenylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1126 |
| logD: | 2.1125 |
| logSw: | -2.235 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.421 |
| InChI Key: | JBRAJFNMGMEBMR-MRXNPFEDSA-N |