2-({6-[(2-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({6-[(2-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({6-[(2-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G071-0431 |
| Compound Name: | 2-({6-[(2-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 530.67 |
| Molecular Formula: | C28 H26 N4 O3 S2 |
| Smiles: | Cc1ccccc1CN1c2ccccc2c2c(cnc(n2)SCC(NCCc2ccccc2)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6063 |
| logD: | 4.6063 |
| logSw: | -4.3384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.479 |
| InChI Key: | CZKGXUTZKVHREM-UHFFFAOYSA-N |