3-(azepane-1-sulfonyl)-N-(3-bromophenyl)-1-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(3-bromophenyl)-1-methyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-(3-bromophenyl)-1-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8117 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(3-bromophenyl)-1-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 441.34 |
| Molecular Formula: | C17 H21 Br N4 O3 S |
| Smiles: | Cn1cc(C(Nc2cccc(c2)[Br])=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9446 |
| logD: | 2.8983 |
| logSw: | -3.4572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.502 |
| InChI Key: | DOFOAOAGQZCPTN-UHFFFAOYSA-N |