N-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-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: | J039-0250 |
Compound Name: | N-(1,3-benzothiazol-2-yl)-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: | 480.57 |
Molecular Formula: | C22 H20 N6 O3 S2 |
Smiles: | CC(c1nnc(n1C)SCC(Nc1nc2ccccc2s1)=O)N1C(COc2ccccc12)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8021 |
logD: | 2.802 |
logSw: | -3.4485 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.404 |
InChI Key: | FQMQZNARTNMWIY-ZDUSSCGKSA-N |