2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0366 |
| Compound Name: | 2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C28 H25 N3 O5 S2 |
| Smiles: | Cc1cccc(CN2c3ccccc3c3c(cnc(n3)SCC(c3cc(ccc3OC)OC)=O)S2(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2801 |
| logD: | 5.2801 |
| logSw: | -5.0984 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.588 |
| InChI Key: | KERLYZZSMVLMSX-UHFFFAOYSA-N |