N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
Chemical Structure Depiction of
N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
Compound characteristics
| Compound ID: | Y300-3493 |
| Compound Name: | N-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C15 H18 N4 O3 S2 |
| Smiles: | CC(C)C(Nc1nnc(s1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1511 |
| logD: | 2.6437 |
| logSw: | -3.3681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.294 |
| InChI Key: | WBVMCKVQQABKFU-UHFFFAOYSA-N |