methyl 4-{N-(4-chlorobenzoyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(4-chlorobenzoyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(4-chlorobenzoyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4770 |
| Compound Name: | methyl 4-{N-(4-chlorobenzoyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 432.9 |
| Molecular Formula: | C22 H25 Cl N2 O5 |
| Smiles: | Cc1c(C(CN(CC2CCCO2)C(c2ccc(cc2)[Cl])=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.657 |
| logD: | 2.657 |
| logSw: | -3.8326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.234 |
| InChI Key: | AQIQGGAKHOQZNX-QGZVFWFLSA-N |