ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-enamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-enamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-enamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0822 |
| Compound Name: | ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-enamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C27 H28 N2 O5 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)C(/C=C/c2ccccc2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7867 |
| logD: | 4.7867 |
| logSw: | -4.5812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.501 |
| InChI Key: | NVZDDERZHFKLKE-UHFFFAOYSA-N |