2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(3-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-[(3-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-[(3-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
Compound ID: | G071-0289 |
Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(3-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(c1cccc(c1)F)N1c2ccccc2c2c(cnc(n2)SCC(c2ccc3c(c2)OCO3)=O)S1(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8009 |
logD: | 4.8009 |
logSw: | -4.8213 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 79.529 |
InChI Key: | UPIWXLBMFXQNLH-UHFFFAOYSA-N |