methyl (3,3,7-trioxo-3H-3lambda~6~-anthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
Chemical Structure Depiction of
methyl (3,3,7-trioxo-3H-3lambda~6~-anthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
methyl (3,3,7-trioxo-3H-3lambda~6~-anthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
Compound characteristics
| Compound ID: | 8018-6653 |
| Compound Name: | methyl (3,3,7-trioxo-3H-3lambda~6~-anthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate |
| Molecular Weight: | 356.35 |
| Molecular Formula: | C17 H12 N2 O5 S |
| Smiles: | COC(CN1N=C2c3ccccc3C(c3cccc(c23)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0443 |
| logD: | 1.9474 |
| logSw: | -2.8063 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.114 |
| InChI Key: | ZKTHMLUSXPXCPR-UHFFFAOYSA-N |