3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0542 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C20 H18 F N3 O3 S |
| Smiles: | CN1C(=CC(c2ccc(cc2)F)=NS1(=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0379 |
| logD: | 3.0379 |
| logSw: | -3.4252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.537 |
| InChI Key: | RDEOAPUYPFRZQE-UHFFFAOYSA-N |