2-(cyclopropylmethyl)-7-{[(1-ethyl-3-methyl-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
2-(cyclopropylmethyl)-7-{[(1-ethyl-3-methyl-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
2-(cyclopropylmethyl)-7-{[(1-ethyl-3-methyl-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: | S638-2728 |
| Compound Name: | 2-(cyclopropylmethyl)-7-{[(1-ethyl-3-methyl-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: | 358.49 |
| Molecular Formula: | C19 H30 N6 O |
| Smiles: | CCn1cc(CN(C)C2CCC3=NN(CC4CC4)C(N3CC2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7734 |
| logD: | -5.1614 |
| logSw: | -1.5934 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.489 |
| InChI Key: | BXVJAFSRJLYGPW-QGZVFWFLSA-N |