methyl 2-[(1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-(2-fluorobenzoyl)alaninate
Chemical Structure Depiction of
methyl 2-[(1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-(2-fluorobenzoyl)alaninate
methyl 2-[(1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-(2-fluorobenzoyl)alaninate
Compound characteristics
Compound ID: | 8013-8415 |
Compound Name: | methyl 2-[(1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-(2-fluorobenzoyl)alaninate |
Molecular Weight: | 427.38 |
Molecular Formula: | C18 H13 F4 N3 O3 S |
Smiles: | COC(C(C(F)(F)F)(NC(c1ccccc1F)=O)Nc1nc2ccccc2s1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5048 |
logD: | 2.166 |
logSw: | -4.4691 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.462 |
InChI Key: | SCKIRJLNOGYEGV-QGZVFWFLSA-N |