2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)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-fluoro-4-methylphenyl)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-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0910 |
| 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-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 458.53 |
| Molecular Formula: | C21 H19 F N4 O3 S2 |
| Smiles: | Cc1ccc2c(c1)c1c(cnc(n1)SCC(Nc1ccc(C)c(c1)F)=O)S(N2C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3568 |
| logD: | 4.3566 |
| logSw: | -4.2299 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.593 |
| InChI Key: | URDYEICOMHVTEV-UHFFFAOYSA-N |