methyl 3-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
methyl 3-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E983-1681 |
| Compound Name: | methyl 3-({[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | Cc1cccc(c1)n1c(C)cc(CNC(Nc2cccc(c2)C(=O)OC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.6688 |
| logD: | 4.6688 |
| logSw: | -4.4637 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.702 |
| InChI Key: | JGQMXLDJMINDHX-UHFFFAOYSA-N |