2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D425-1743 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C22 H24 Cl N3 O3 S |
| Smiles: | CC(C)Cn1c2ccccc2nc1SCC(=O)OCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.974 |
| logD: | 4.9712 |
| logSw: | -4.9778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.755 |
| InChI Key: | HTJGWTDQDSZHCW-UHFFFAOYSA-N |