7-[{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-[{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-[{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-0957 |
| Compound Name: | 7-[{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 368.44 |
| Molecular Formula: | C19 H24 N6 O2 |
| Smiles: | CN(Cc1c[nH]nc1c1ccccc1OC)C1CCC2=NNC(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9764 |
| logD: | -1.7764 |
| logSw: | -2.7007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.533 |
| InChI Key: | HKYWFOMRAMQLRZ-CQSZACIVSA-N |