6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0066 |
| Compound Name: | 6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C27 H23 N3 O5 S2 |
| Smiles: | COc1ccc(cc1OC)C(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3805 |
| logD: | 4.3805 |
| logSw: | -4.3305 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.674 |
| InChI Key: | RIRRQANAOVWRGK-UHFFFAOYSA-N |