methyl 4-{N-(4-chlorobenzoyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(4-chlorobenzoyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(4-chlorobenzoyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4708 |
| Compound Name: | methyl 4-{N-(4-chlorobenzoyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C23 H23 Cl N2 O5 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(Cc1ccco1)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1267 |
| logD: | 4.1267 |
| logSw: | -4.837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.185 |
| InChI Key: | DEAXTIQERLPXPY-HNNXBMFYSA-N |