2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G071-0678 |
| Compound Name: | 2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 464.92 |
| Molecular Formula: | C19 H14 Cl F N4 O3 S2 |
| Smiles: | CN1c2ccc(cc2c2c(cnc(n2)SCC(Nc2cccc(c2)F)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1348 |
| logD: | 4.1346 |
| logSw: | -4.4149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.593 |
| InChI Key: | HIRGWBQDSRTUGE-UHFFFAOYSA-N |