2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G071-0927 |
| Compound Name: | 2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C21 H20 N4 O3 S3 |
| Smiles: | Cc1ccc2c(c1)c1c(cnc(n1)SCC(Nc1cccc(c1)SC)=O)S(N2C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.168 |
| logD: | 4.168 |
| logSw: | -4.1352 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.593 |
| InChI Key: | DFFVGYUEFVOWGP-UHFFFAOYSA-N |