methyl 3-{[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 3-{[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M461-8150 |
| Compound Name: | methyl 3-{[3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCn1cc(C(Nc2cccc(c2)C(=O)OC)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8224 |
| logD: | 2.82 |
| logSw: | -3.4505 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.369 |
| InChI Key: | KIIFVNPUKLAKJP-UHFFFAOYSA-N |