1-(azepan-1-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-0440 |
| Compound Name: | 1-(azepan-1-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 361.22 |
| Molecular Formula: | C13 H20 I N3 O |
| Smiles: | Cc1c(c(C)n(CC(N2CCCCCC2)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 1.6756 |
| logD: | 1.6756 |
| logSw: | -1.5292 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.2437 |
| InChI Key: | FERVDVBHGBKPSW-UHFFFAOYSA-N |