2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G071-1282 |
| Compound Name: | 2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 591.03 |
| Molecular Formula: | C26 H18 Cl F3 N4 O3 S2 |
| Smiles: | C(c1ccccc1)N1c2ccc(cc2c2c(cnc(n2)SCC(Nc2cccc(c2)C(F)(F)F)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2042 |
| logD: | 6.2038 |
| logSw: | -6.3334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | KMSOHGZLGOLRQD-UHFFFAOYSA-N |