methyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-1970 |
| Compound Name: | methyl 4-{N-(2H-1,3-benzodioxole-5-carbonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C25 H25 N3 O6 |
| Salt: | not_available |
| Smiles: | Cc1c(C(CN(CCc2ccccn2)C(c2ccc3c(c2)OCO3)=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4166 |
| logD: | 2.4165 |
| logSw: | -2.9596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.217 |
| InChI Key: | UTJPTLNNPYPDQK-UHFFFAOYSA-N |