2-[(3-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
2-[(3-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0518 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H33 F N6 O2 |
| Smiles: | CN1CCN(CCCNC(C2CCCCC3=NN(Cc4cccc(c4)F)C(N23)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4606 |
| logD: | 0.2561 |
| logSw: | -2.0518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.934 |
| InChI Key: | XRBQUBHXVUNBOH-FQEVSTJZSA-N |