methyl 4-chloro-2-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 4-chloro-2-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0437 |
| Compound Name: | methyl 4-chloro-2-[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C24 H26 Cl N3 O3 |
| Smiles: | Cc1cc(C)c(Cn2cccc2CNC(Nc2cc(ccc2C(=O)OC)[Cl])=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5971 |
| logD: | 5.521 |
| logSw: | -5.8823 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.41 |
| InChI Key: | PUZVUMSPROMQAO-UHFFFAOYSA-N |