2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-1009 |
| 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-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 551.09 |
| Molecular Formula: | C27 H23 Cl N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)NC(CSc1ncc2c(c3ccc(cc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7404 |
| logD: | 5.7404 |
| logSw: | -5.7647 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.618 |
| InChI Key: | SJDOWHBSEATHFT-UHFFFAOYSA-N |