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-(morpholin-4-yl)phenyl]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-(morpholin-4-yl)phenyl]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-(morpholin-4-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | J039-0133 |
| 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-(morpholin-4-yl)phenyl]acetamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C25 H28 N6 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc(cc1)N1CCOCC1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7514 |
| logD: | 1.7511 |
| logSw: | -2.3754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.003 |
| InChI Key: | XASGIAWFWZKQHF-KRWDZBQOSA-N |