N-butyl-3-(2-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
Chemical Structure Depiction of
N-butyl-3-(2-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
N-butyl-3-(2-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide
Compound characteristics
| Compound ID: | F985-1020 |
| Compound Name: | N-butyl-3-(2-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)benzamide |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C22 H22 Cl F N4 O2 S |
| Smiles: | CCCCNC(c1cccc(c1)n1ccnc1SCC(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4195 |
| logD: | 4.4129 |
| logSw: | -4.575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.495 |
| InChI Key: | MQAGNNQWSHPWJW-UHFFFAOYSA-N |