N-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | G071-0078 |
| Compound Name: | N-(4-methylphenyl)-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: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(CN2c3ccccc3c3c(cnc(n3)SCC(Nc3ccc(C)cc3)=O)S2(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2407 |
| logD: | 5.2407 |
| logSw: | -4.8661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | KPNWDGOVIWJLIX-UHFFFAOYSA-N |