dimethyl 2-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzene-1,4-dicarboxylate
dimethyl 2-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | E983-1634 |
| Compound Name: | dimethyl 2-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzene-1,4-dicarboxylate |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | Cc1cccc(c1)n1c(C)cc(CNC(Nc2cc(ccc2C(=O)OC)C(=O)OC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.2132 |
| logD: | 4.21 |
| logSw: | -4.3213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.178 |
| InChI Key: | SMBXHZDTIPVCPS-UHFFFAOYSA-N |