4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide
Compound characteristics
| Compound ID: | C059-0105 |
| Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzamide |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C25 H23 N3 O4 S2 |
| Smiles: | CN1/C(=N/C(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)=O)Sc2cccc(c12)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2481 |
| logD: | 4.2481 |
| logSw: | -4.3931 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.456 |
| InChI Key: | HQAZECBBJDOPNQ-UHFFFAOYSA-N |