1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC19-0417 |
| Compound Name: | 1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 386.5 |
| Molecular Formula: | C20 H30 N6 O2 |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)C(Cn2cc(C)cn2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.2121 |
| logD: | -4.4204 |
| logSw: | 0.1476 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.287 |
| InChI Key: | PHMGTQKGUBNKEH-UHFFFAOYSA-N |