2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-1011 |
| Compound Name: | 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 615.13 |
| Molecular Formula: | C31 H23 Cl N4 O4 S2 |
| Smiles: | C(c1ccccc1)N1c2cc(ccc2c2c(cnc(n2)SCC(Nc2ccc(cc2)Oc2ccccc2)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.8 |
| logD: | 6.8 |
| logSw: | -6.391 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.064 |
| InChI Key: | WCRAZIYWDWZUIG-UHFFFAOYSA-N |