2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0215 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 535.57 |
| Molecular Formula: | C26 H18 F N3 O5 S2 |
| Smiles: | C(c1ccc(cc1)F)N1c2ccccc2c2c(cnc(n2)SCC(c2ccc3c(c2)OCO3)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7078 |
| logD: | 4.7078 |
| logSw: | -4.7462 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.529 |
| InChI Key: | NDXBJHIWNBMOSB-UHFFFAOYSA-N |