methyl 4-[({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
methyl 4-[({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | G621-0615 |
| Compound Name: | methyl 4-[({1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C20 H19 Cl N2 O3 S |
| Smiles: | COC(c1ccc(CSc2ncc(CO)n2Cc2ccc(cc2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0421 |
| logD: | 4.0371 |
| logSw: | -4.4392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.533 |
| InChI Key: | BNERQPROEDTZJK-UHFFFAOYSA-N |