ethyl 4-({[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0046 |
| Compound Name: | ethyl 4-({[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 494.56 |
| Molecular Formula: | C23 H28 F2 N4 O4 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)S(c2cnn(C(F)F)c2C)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6167 |
| logD: | 3.6167 |
| logSw: | -3.6127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.664 |
| InChI Key: | PANREYDHDAAFAQ-UHFFFAOYSA-N |