N-[3-(4-methylpiperazin-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-methylpiperazin-1-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[3-(4-methylpiperazin-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: | T149-1002 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C22 H32 N6 O |
| Smiles: | CN1CCN(CCCNC(C2CCCCc3nnc(c4ccccc4)n23)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1713 |
| logD: | -0.0333 |
| logSw: | -1.8781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.976 |
| InChI Key: | QRXWKMGEIJTASY-IBGZPJMESA-N |