N-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-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: | G071-0119 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-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: | 546.62 |
| Molecular Formula: | C27 H22 N4 O5 S2 |
| Smiles: | Cc1ccc(CN2c3ccccc3c3c(cnc(n3)SCC(Nc3ccc4c(c3)OCO4)=O)S2(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6504 |
| logD: | 4.6504 |
| logSw: | -4.367 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.431 |
| InChI Key: | ZOBNTRNICMUSQJ-UHFFFAOYSA-N |