N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-1055 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C23 H34 N6 O |
| Smiles: | CCN1CCN(CCCNC(C2CCCCc3nnc(c4ccccc4)n23)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.516 |
| logD: | 0.5678 |
| logSw: | -2.0592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.036 |
| InChI Key: | FLGKXYJVJTYUHX-FQEVSTJZSA-N |