ethyl 4-({(2H-1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(2H-1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(2H-1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G799-0128 |
| Compound Name: | ethyl 4-({(2H-1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C26 H29 N3 O6 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(cc2)OC)C(Nc2ccc3c(c2)OCO3)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4475 |
| logD: | 4.4475 |
| logSw: | -4.3565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.393 |
| InChI Key: | VNPDHVSOPCOFIC-UHFFFAOYSA-N |