methyl 4-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
methyl 4-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G331-0599 |
| Compound Name: | methyl 4-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | COC(c1ccc(cc1)NC(NCc1cccn1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4948 |
| logD: | 4.4948 |
| logSw: | -4.8102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.108 |
| InChI Key: | RXNZHDRVHXDHAN-UHFFFAOYSA-N |