2-({4-ethyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({4-ethyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J039-0157 |
| Compound Name: | 2-({4-ethyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C22 H22 F N5 O3 S |
| Smiles: | CCn1c(C(C)N2C(COc3ccccc23)=O)nnc1SCC(Nc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.676 |
| logD: | 2.6759 |
| logSw: | -3.2737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.557 |
| InChI Key: | ISEDUUYAOVPVKJ-AWEZNQCLSA-N |