2-(2-phenoxyethyl)-7-(4-propylpiperazine-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-(2-phenoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(2-phenoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0153 |
| Compound Name: | 2-(2-phenoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CCCN1CCN(CC1)C(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4528 |
| logD: | 2.0014 |
| logSw: | -2.2575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.351 |
| InChI Key: | MTISDHUPOUXWLU-LJQANCHMSA-N |