methyl 4-({[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
methyl 4-({[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F711-0757 |
| Compound Name: | methyl 4-({[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C22 H22 Cl N3 O4 S |
| Smiles: | COC(c1ccc(CSc2ncc(CO)n2CC(NCc2ccc(cc2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.207 |
| logD: | 3.1941 |
| logSw: | -3.5986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.004 |
| InChI Key: | ABCNWIFLYUANRO-UHFFFAOYSA-N |