methyl 4-chloro-2-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 4-chloro-2-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
Compound ID: | G331-0121 |
Compound Name: | methyl 4-chloro-2-[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
Molecular Weight: | 411.89 |
Molecular Formula: | C22 H22 Cl N3 O3 |
Smiles: | Cc1cccc(Cn2cccc2CNC(Nc2cc(ccc2C(=O)OC)[Cl])=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.6762 |
logD: | 4.6001 |
logSw: | -4.8181 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.41 |
InChI Key: | UTXHXNNGZBKWGQ-UHFFFAOYSA-N |