2-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G534-2837 |
| Compound Name: | 2-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C25 H27 F N4 O2 S |
| Smiles: | C1CCC(CCNC(Cn2c3ccccc3nc2SCC(Nc2ccc(cc2)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5347 |
| logD: | 4.5344 |
| logSw: | -4.3349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.132 |
| InChI Key: | ZEVSHQQMIIAYKY-UHFFFAOYSA-N |