N-(2,4-dibromo-6-fluorophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(2,4-dibromo-6-fluorophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-(2,4-dibromo-6-fluorophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
Compound ID: | K953-0372 |
Compound Name: | N-(2,4-dibromo-6-fluorophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
Molecular Weight: | 474.14 |
Molecular Formula: | C16 H11 Br2 F N2 O2 S |
Smiles: | C(CN1C(Oc2ccccc12)=S)C(Nc1c(cc(cc1[Br])[Br])F)=O |
Stereo: | ACHIRAL |
logP: | 4.465 |
logD: | 4.0859 |
logSw: | -4.3469 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.6069 |
InChI Key: | QSPJTGLKFXOTHV-UHFFFAOYSA-N |