3-(azepane-1-sulfonyl)-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8142 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C20 H28 N4 O5 S |
| Smiles: | CCn1cc(C(Nc2ccc(c(c2)OC)OC)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.086 |
| logD: | 2.0732 |
| logSw: | -3.0142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.456 |
| InChI Key: | NMDDYWJSJVMDEG-UHFFFAOYSA-N |