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-(4-methylphenyl)-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-[4-(4-methylphenyl)-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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | J039-0115 |
| 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-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C25 H24 N6 O3 S2 |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1nc(cs1)c1ccc(C)cc1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9735 |
| logD: | 3.9735 |
| logSw: | -4.0685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.417 |
| InChI Key: | RFOKCZVPWNHZGV-INIZCTEOSA-N |