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-(4-phenoxyphenyl)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-(4-phenoxyphenyl)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-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J039-0138 |
| 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-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C27 H25 N5 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc(cc1)Oc1ccccc1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7225 |
| logD: | 3.7225 |
| logSw: | -4.1964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.39 |
| InChI Key: | ABEBCUQETGXQQL-SFHVURJKSA-N |