ethyl 5-[(N-benzyl-4-cyanobenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(N-benzyl-4-cyanobenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(N-benzyl-4-cyanobenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F347-0090 |
| Compound Name: | ethyl 5-[(N-benzyl-4-cyanobenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C25 H25 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)C(c2ccc(C#N)cc2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6158 |
| logD: | 3.6158 |
| logSw: | -3.7173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.465 |
| InChI Key: | PMWVCDCWJBUEGO-UHFFFAOYSA-N |