N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}benzamide
Compound characteristics
| Compound ID: | M358-0276 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}benzamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)n1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1897 |
| logD: | 2.1897 |
| logSw: | -2.8728 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.126 |
| InChI Key: | AOJYRMGPFDVUPD-UHFFFAOYSA-N |