N-[2-chloro-5-(trifluoromethyl)phenyl]-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)acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-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)acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-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)acetamide
Compound characteristics
| Compound ID: | J039-0021 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-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)acetamide |
| Molecular Weight: | 525.94 |
| Molecular Formula: | C22 H19 Cl F3 N5 O3 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2574 |
| logD: | 3.2247 |
| logSw: | -3.6544 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.945 |
| InChI Key: | CSBSBQNZVRFMNA-LBPRGKRZSA-N |