2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(2-methylphenyl)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-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0437 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-[(2-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C27 H21 N3 O5 S2 |
| Smiles: | Cc1ccccc1CN1c2ccccc2c2c(cnc(n2)SCC(c2ccc3c(c2)OCO3)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.435 |
| logD: | 5.435 |
| logSw: | -5.2357 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.529 |
| InChI Key: | YFSCVQRPCZRBNN-UHFFFAOYSA-N |