N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y300-3783 |
| Compound Name: | N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C13 H14 N4 O3 S2 |
| Smiles: | CC(Nc1nnc(s1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2189 |
| logD: | 1.99 |
| logSw: | -2.7272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.193 |
| InChI Key: | ZNPNFLYUDDKYHO-UHFFFAOYSA-N |