methyl 2-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
methyl 2-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E983-1697 |
| Compound Name: | methyl 2-({[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | Cc1cc(CNC(Nc2ccccc2C(=O)OC)=O)c(C)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.264 |
| logD: | 4.2632 |
| logSw: | -4.456 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.004 |
| InChI Key: | AIAKWXMVEHLUKU-UHFFFAOYSA-N |