methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V027-7966 |
| Compound Name: | methyl 4-[N-tert-butyl-N-(4-chlorobenzoyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 404.89 |
| Molecular Formula: | C21 H25 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(C(CN(C(c2ccc(cc2)[Cl])=O)C(C)(C)C)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7562 |
| logD: | 3.7562 |
| logSw: | -4.8825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.958 |
| InChI Key: | FWVROEDVHFXOSF-UHFFFAOYSA-N |