methyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M461-8105 |
| Compound Name: | methyl 3-{[3-(azepane-1-sulfonyl)-1-methyl-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C19 H24 N4 O5 S |
| Smiles: | Cn1cc(C(Nc2cccc(c2)C(=O)OC)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4079 |
| logD: | 2.4055 |
| logSw: | -3.0625 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.676 |
| InChI Key: | LQHYVHYCHYOFHF-UHFFFAOYSA-N |