N-(2H-1,3-benzodioxol-5-yl)-2-({6-[(2-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-[(2-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-[(2-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: | G071-0415 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({6-[(2-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: | Cc1ccccc1CN1c2ccccc2c2c(cnc(n2)SCC(Nc2ccc3c(c2)OCO3)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9834 |
| logD: | 4.9834 |
| logSw: | -4.4497 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.431 |
| InChI Key: | ULIFJBFVTSHVDF-UHFFFAOYSA-N |