ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chlorobenzamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chlorobenzamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chlorobenzamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F347-0714 |
| Compound Name: | ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chlorobenzamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C25 H25 Cl N2 O5 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)C(c2ccc(cc2)[Cl])=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4273 |
| logD: | 4.4273 |
| logSw: | -4.8416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.524 |
| InChI Key: | VMTIAKDDHVCRLP-UHFFFAOYSA-N |