N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C200-5331 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 560.65 |
| Molecular Formula: | C28 H24 N4 O5 S2 |
| Smiles: | Cc1ccc(CN2c3ccccc3c3c(cnc(n3)SCC(Nc3ccc4c(c3)OCCO4)=O)S2(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7899 |
| logD: | 3.7899 |
| logSw: | -3.794 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.139 |
| InChI Key: | SSOHKHZHHOTQJG-UHFFFAOYSA-N |