2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J039-0220 |
| Compound Name: | 2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C25 H24 N6 O3 S2 |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1nc(c2ccccc2)c(C)s1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3391 |
| logD: | 3.3389 |
| logSw: | -3.7554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.188 |
| InChI Key: | YEVRFLNTMWNSIE-HNNXBMFYSA-N |