ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](5-chloro-2-methylphenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](5-chloro-2-methylphenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](5-chloro-2-methylphenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F346-0575 |
| Compound Name: | ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl](5-chloro-2-methylphenyl)carbamamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C26 H28 Cl N3 O5 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)C(Nc2cc(ccc2C)[Cl])=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0837 |
| logD: | 5.0837 |
| logSw: | -5.5015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.647 |
| InChI Key: | KVHBUHPEVQRYOA-UHFFFAOYSA-N |