2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G071-1025 |
| 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-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 569.12 |
| Molecular Formula: | C26 H21 Cl N4 O3 S3 |
| Smiles: | CSc1cccc(c1)NC(CSc1ncc2c(c3ccc(cc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5708 |
| logD: | 5.5708 |
| logSw: | -5.791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | FYYIBSVXJRGJLU-UHFFFAOYSA-N |