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-methylphenyl)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-methylphenyl)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-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J039-0052 |
| 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-methylphenyl)acetamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCn1c(C(C)N2C(COc3ccccc23)=O)nnc1SCC(Nc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0703 |
| logD: | 3.0703 |
| logSw: | -3.4651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.557 |
| InChI Key: | FQBUEKDSSXGFGB-INIZCTEOSA-N |