6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-9-fluoro-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
Chemical Structure Depiction of
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-9-fluoro-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-9-fluoro-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | D356-2603 |
| Compound Name: | 6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-9-fluoro-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H19 F N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1c2ccc(cc2c2ccccc2S1(=O)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8744 |
| logD: | 3.8744 |
| logSw: | -4.0592 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.816 |
| InChI Key: | RVHOQZXXYLOXOK-UHFFFAOYSA-N |