butyl 4-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
butyl 4-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
butyl 4-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Compound characteristics
Compound ID: | C097-0201 |
Compound Name: | butyl 4-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate |
Molecular Weight: | 458.82 |
Molecular Formula: | C20 H18 Cl F3 N2 O5 |
Smiles: | CCCCOC(c1ccc(cc1)NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.3589 |
logD: | 5.751 |
logSw: | -6.3046 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.681 |
InChI Key: | QIAIPBFUMBGMIV-FQEVSTJZSA-N |