5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | F583-0186 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1-methyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | Cc1cccc(CNC(c2c3CN(CCc3n(C)n2)S(c2ccc3c(c2)OCCO3)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.949 |
| logD: | 1.949 |
| logSw: | -2.6954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.866 |
| InChI Key: | QYYKMGLKXBAUTB-UHFFFAOYSA-N |