methyl 4-{N-(4-chlorobenzoyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(4-chlorobenzoyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(4-chlorobenzoyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4186 |
| Compound Name: | methyl 4-{N-(4-chlorobenzoyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C24 H24 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(C(CN(CCc2ccccn2)C(c2ccc(cc2)[Cl])=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1729 |
| logD: | 3.1728 |
| logSw: | -3.9586 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.102 |
| InChI Key: | MRRTXLVPPNQTLU-UHFFFAOYSA-N |