methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-6665 |
| Compound Name: | methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C23 H29 Cl N2 O4 |
| Smiles: | CCn1c(C)c(C(CN(C(c2ccc(cc2)[Cl])=O)C(C)(C)C)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2001 |
| logD: | 4.2001 |
| logSw: | -4.8422 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.7 |
| InChI Key: | PSNPNRCUKLMUCM-UHFFFAOYSA-N |