2-[(2,5-dimethylphenyl)methyl]-8-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-8-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2,5-dimethylphenyl)methyl]-8-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2060 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-8-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N3CCCC(C3=N2)C(N2CCN(C)CC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5642 |
| logD: | 2.2428 |
| logSw: | -2.5356 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.33 |
| InChI Key: | KZNNPSBOLOIJLO-GOSISDBHSA-N |