1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(1H-indol-3-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-(1H-indol-3-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-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC19-0304 |
| Compound Name: | 1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)C(Cc2c[nH]c3ccccc23)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5466 |
| logD: | -2.9507 |
| logSw: | -2.2114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.381 |
| InChI Key: | KVDDDDMZBRDNKN-UHFFFAOYSA-N |