ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](2,5-difluorophenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](2,5-difluorophenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](2,5-difluorophenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F346-0586 |
| Compound Name: | ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](2,5-difluorophenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 485.49 |
| Molecular Formula: | C25 H25 F2 N3 O5 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)C(Nc2cc(ccc2F)F)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7939 |
| logD: | 4.7936 |
| logSw: | -4.7147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.647 |
| InChI Key: | VWJKDSLBJWCEBX-UHFFFAOYSA-N |