2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G071-1344 |
| Compound Name: | 2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 597.11 |
| Molecular Formula: | C28 H25 Cl N4 O5 S2 |
| Smiles: | COc1ccc(CNC(CSc2ncc3c(c4cc(ccc4N(Cc4ccccc4)S3(=O)=O)[Cl])n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4572 |
| logD: | 4.4572 |
| logSw: | -4.6445 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.899 |
| InChI Key: | XGJOCGCORGVWOU-UHFFFAOYSA-N |