N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0394 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C25 H21 N3 O4 S2 |
| Smiles: | CN1C(C(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c2ccccc2C1=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3104 |
| logD: | 3.303 |
| logSw: | -3.859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.29 |
| InChI Key: | DDGCTJHKLUGKNW-UHFFFAOYSA-N |