ethyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate
ethyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M461-8106 |
| Compound Name: | ethyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1cn(C)nc1S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9185 |
| logD: | 2.9161 |
| logSw: | -3.4543 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.256 |
| InChI Key: | GAAKTRZOQAJHBX-UHFFFAOYSA-N |