4-[3-chloro-4-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
Chemical Structure Depiction of
4-[3-chloro-4-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
4-[3-chloro-4-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
Compound characteristics
| Compound ID: | 8018-6201 |
| Compound Name: | 4-[3-chloro-4-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione |
| Molecular Weight: | 494.95 |
| Molecular Formula: | C21 H23 Cl N4 O6 S |
| Smiles: | CN1C(N(C(N1C)=O)c1ccc(c(c1)[Cl])S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2454 |
| logD: | 2.2454 |
| logSw: | -3.1392 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.623 |
| InChI Key: | RFLAACQWXDCEKB-UHFFFAOYSA-N |