7-[{[3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | CM4206-0996 |
| Compound Name: | 7-[{[3-(4-ethoxyphenyl)-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: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | CCOc1ccc(cc1)c1c(CN(C)C2CCC3=NNC(N3CC2)=O)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4895 |
| logD: | -1.5243 |
| logSw: | -2.6659 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.026 |
| InChI Key: | KWGUSDNDZTYJFQ-MRXNPFEDSA-N |