4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzohydrazide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzohydrazide
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzohydrazide
Compound characteristics
Compound ID: | C502-0444 |
Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzohydrazide |
Molecular Weight: | 492.62 |
Molecular Formula: | C25 H24 N4 O3 S2 |
Smiles: | Cc1ccc2c(c1C)nc(NNC(c1ccc(cc1)S(N1CCc3ccccc3C1)(=O)=O)=O)s2 |
Stereo: | ACHIRAL |
logP: | 5.4839 |
logD: | 5.4832 |
logSw: | -5.428 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.161 |
InChI Key: | WNJBQCRAGRMDLJ-UHFFFAOYSA-N |