2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)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-(1,3-thiazol-2-yl)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-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G071-1342 |
| 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-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C22 H16 Cl N5 O3 S3 |
| Smiles: | C(c1ccccc1)N1c2ccc(cc2c2c(cnc(n2)SCC(Nc2nccs2)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3269 |
| logD: | 4.3264 |
| logSw: | -4.5896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.794 |
| InChI Key: | ZEAMYKFUICVIEE-UHFFFAOYSA-N |