N-(5-chloro-2-hydroxyphenyl)-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-(5-chloro-2-hydroxyphenyl)-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-(5-chloro-2-hydroxyphenyl)-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: | J039-0144 |
| Compound Name: | N-(5-chloro-2-hydroxyphenyl)-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: | 473.94 |
| Molecular Formula: | C21 H20 Cl N5 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1cc(ccc1O)[Cl])=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.089 |
| logD: | 2.0875 |
| logSw: | -2.8294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.493 |
| InChI Key: | PSKTVDAPYMBJGP-LBPRGKRZSA-N |