4-(2,6-dimethylmorpholine-4-sulfonyl)-N-[(2Z)-4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene]benzamide
Chemical Structure Depiction of
4-(2,6-dimethylmorpholine-4-sulfonyl)-N-[(2Z)-4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene]benzamide
4-(2,6-dimethylmorpholine-4-sulfonyl)-N-[(2Z)-4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene]benzamide
Compound characteristics
Compound ID: | C059-0093 |
Compound Name: | 4-(2,6-dimethylmorpholine-4-sulfonyl)-N-[(2Z)-4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene]benzamide |
Molecular Weight: | 475.58 |
Molecular Formula: | C22 H25 N3 O5 S2 |
Smiles: | CC1CN(CC(C)O1)S(c1ccc(cc1)C(/N=C1/N(C)c2c(cccc2S1)OC)=O)(=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.6331 |
logD: | 2.6331 |
logSw: | -2.9658 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 72.727 |
InChI Key: | XQKJTDBGZLMOSF-UHFFFAOYSA-N |