methyl 4-[N-tert-butyl-N-(4-fluorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-tert-butyl-N-(4-fluorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-tert-butyl-N-(4-fluorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4892 |
| Compound Name: | methyl 4-[N-tert-butyl-N-(4-fluorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C21 H25 F N2 O4 |
| Smiles: | Cc1c(C(CN(C(c2ccc(cc2)F)=O)C(C)(C)C)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1906 |
| logD: | 3.1906 |
| logSw: | -3.3964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.958 |
| InChI Key: | ISNSUCBYAHRDEE-UHFFFAOYSA-N |