5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0970 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8878 |
| logD: | 2.8878 |
| logSw: | -3.5015 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.653 |
| InChI Key: | SRLLTGUCOGSCCX-UHFFFAOYSA-N |