2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | G071-1006 |
| Compound Name: | 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide |
| Molecular Weight: | 559.01 |
| Molecular Formula: | C25 H17 Cl F2 N4 O3 S2 |
| Smiles: | C(c1ccccc1)N1c2cc(ccc2c2c(cnc(n2)SCC(Nc2ccc(cc2F)F)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0258 |
| logD: | 5.018 |
| logSw: | -5.1501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.618 |
| InChI Key: | ISJWAHRTDJWRQX-UHFFFAOYSA-N |