1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)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-methoxyphenoxy)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-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SC19-0289 |
| 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-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C23 H32 N4 O4 |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)C(COc2ccc(cc2)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.8729 |
| logD: | -3.5887 |
| logSw: | -1.5376 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.553 |
| InChI Key: | DOBMTXNKTJIQIL-UHFFFAOYSA-N |