methyl 3-{[3,5-dimethyl-1-(6-phenylpyridazin-3-yl)-1H-pyrazole-4-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[3,5-dimethyl-1-(6-phenylpyridazin-3-yl)-1H-pyrazole-4-sulfonyl]amino}benzoate
methyl 3-{[3,5-dimethyl-1-(6-phenylpyridazin-3-yl)-1H-pyrazole-4-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M348-0145 |
| Compound Name: | methyl 3-{[3,5-dimethyl-1-(6-phenylpyridazin-3-yl)-1H-pyrazole-4-sulfonyl]amino}benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | Cc1c(c(C)n(c2ccc(c3ccccc3)nn2)n1)S(Nc1cccc(c1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6719 |
| logD: | 3.6311 |
| logSw: | -3.991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.415 |
| InChI Key: | PEPILKDRQTWNJJ-UHFFFAOYSA-N |