2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0129 |
| Compound Name: | 2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C29 H28 N4 O3 S2 |
| Smiles: | Cc1ccc(CN2c3ccccc3c3c(cnc(n3)SCC(Nc3c(C)cc(C)cc3C)=O)S2(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3306 |
| logD: | 5.3306 |
| logSw: | -5.1769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.92 |
| InChI Key: | RTJQOAJGYJWOOL-UHFFFAOYSA-N |