ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(dimethylamino)benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(dimethylamino)benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(dimethylamino)benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0821 |
| Compound Name: | ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(dimethylamino)benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C27 H31 N3 O5 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)C(c2cccc(c2)N(C)C)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3388 |
| logD: | 4.3387 |
| logSw: | -4.3512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.833 |
| InChI Key: | HUDVFUIKVFWQLR-UHFFFAOYSA-N |