2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[2-(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-[2-(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-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G071-1281 |
| 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-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 591.03 |
| Molecular Formula: | C26 H18 Cl F3 N4 O3 S2 |
| Smiles: | C(c1ccccc1)N1c2ccc(cc2c2c(cnc(n2)SCC(Nc2ccccc2C(F)(F)F)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6766 |
| logD: | 5.6766 |
| logSw: | -5.9452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.618 |
| InChI Key: | GWLXSWBGERMUBZ-UHFFFAOYSA-N |