methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-2004 |
| Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C22 H27 Cl N2 O4 |
| Smiles: | CC(C)CCN(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1921 |
| logD: | 4.1921 |
| logSw: | -4.8427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.83 |
| InChI Key: | GCQYRXTVVWBYLM-UHFFFAOYSA-N |