2-({6-[(3-methylphenyl)methyl]-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-[(3-methylphenyl)methyl]-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-[(3-methylphenyl)methyl]-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: | G071-0346 |
| Compound Name: | 2-({6-[(3-methylphenyl)methyl]-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: | 548.7 |
| Molecular Formula: | C27 H24 N4 O3 S3 |
| Smiles: | Cc1cccc(CN2c3ccccc3c3c(cnc(n3)SCC(Nc3cccc(c3)SC)=O)S2(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5015 |
| logD: | 5.5015 |
| logSw: | -5.2908 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | OJDWDJPFSQTZCA-UHFFFAOYSA-N |