methyl 4-chloro-2-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
methyl 4-chloro-2-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E983-1886 |
| Compound Name: | methyl 4-chloro-2-({[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C23 H24 Cl N3 O4 |
| Smiles: | Cc1cc(CNC(Nc2cc(ccc2C(=O)OC)[Cl])=O)c(C)n1c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9269 |
| logD: | 3.8669 |
| logSw: | -4.3434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.334 |
| InChI Key: | KJUWCDRKMVSHGK-UHFFFAOYSA-N |