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-(5-phenyl-1,3,4-thiadiazol-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-(5-phenyl-1,3,4-thiadiazol-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-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J039-0249 |
| 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-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C23 H21 N7 O3 S2 |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1nnc(c2ccccc2)s1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6377 |
| logD: | 2.6376 |
| logSw: | -3.2927 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.916 |
| InChI Key: | NEUFVZOPANOUDZ-AWEZNQCLSA-N |