4-(1-{4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(1-{4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
4-(1-{4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | J039-0414 |
| Compound Name: | 4-(1-{4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CC(c1nnc(n1C)SCC(c1ccccc1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0546 |
| logD: | 2.0546 |
| logSw: | -2.4483 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.74 |
| InChI Key: | PUZLHIQXGZYJMF-AWEZNQCLSA-N |