N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
Compound ID: | 7840-2834 |
Compound Name: | N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
Molecular Weight: | 422.89 |
Molecular Formula: | C22 H15 Cl N2 O3 S |
Smiles: | C1COc2cc(ccc2O1)C(Nc1ccc(c(c1)[Cl])c1nc2ccccc2s1)=O |
Stereo: | ACHIRAL |
logP: | 4.8522 |
logD: | 4.8519 |
logSw: | -5.1377 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.602 |
InChI Key: | IYFKKHNQMNQSKN-UHFFFAOYSA-N |