N-[3-(1,3-benzoxazol-2-yl)phenyl]-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)acetamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)phenyl]-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)acetamide
N-[3-(1,3-benzoxazol-2-yl)phenyl]-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)acetamide
Compound characteristics
| Compound ID: | J039-0264 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)phenyl]-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)acetamide |
| Molecular Weight: | 540.6 |
| Molecular Formula: | C28 H24 N6 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1cccc(c1)c1nc2ccccc2o1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7934 |
| logD: | 3.7934 |
| logSw: | -3.997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.453 |
| InChI Key: | ZEQSPJWFNQCRNK-KRWDZBQOSA-N |