3-(azepane-1-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8147 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCn1cc(C(Nc2ccc3c(c2)OCCO3)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5236 |
| logD: | 1.5108 |
| logSw: | -2.5995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.018 |
| InChI Key: | NYRNJPCQWAJQCW-UHFFFAOYSA-N |