2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | G071-0766 |
| Compound Name: | 2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 482.91 |
| Molecular Formula: | C19 H13 Cl F2 N4 O3 S2 |
| Smiles: | CN1c2cc(ccc2c2c(cnc(n2)SCC(Nc2ccc(c(c2)F)F)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2869 |
| logD: | 4.2792 |
| logSw: | -4.4814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.593 |
| InChI Key: | WXYOKEIHBJVEAJ-UHFFFAOYSA-N |