methyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-2553 |
| Compound Name: | methyl 4-[N-(2-chlorobenzoyl)-N-(propan-2-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C22 H27 Cl N2 O4 |
| Smiles: | CC(C)N(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3411 |
| logD: | 3.3411 |
| logSw: | -3.9592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.386 |
| InChI Key: | WWKXEXWILOJHHL-HNNXBMFYSA-N |