ethyl 5-[(N-benzyl-3-methylbutanamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(N-benzyl-3-methylbutanamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(N-benzyl-3-methylbutanamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F347-0120 |
| Compound Name: | ethyl 5-[(N-benzyl-3-methylbutanamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C22 H30 N2 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)C(CC(C)C)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9539 |
| logD: | 3.9539 |
| logSw: | -4.0521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.153 |
| InChI Key: | NGNDBUAXZMQJSY-UHFFFAOYSA-N |