3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0449 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CN1C(=CC(c2ccccc2OC)=NS1(=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7347 |
| logD: | 2.7347 |
| logSw: | -3.4447 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.168 |
| InChI Key: | BGFFWMIDMYQFML-UHFFFAOYSA-N |