2-[(6-benzyl-9-chloro-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-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-phenylethyl)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-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G071-1339 |
| 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-(2-phenylethyl)acetamide |
| Molecular Weight: | 551.09 |
| Molecular Formula: | C27 H23 Cl N4 O3 S2 |
| Smiles: | C(CNC(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.617 |
| logD: | 4.617 |
| logSw: | -4.8206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.479 |
| InChI Key: | JWAVHRWKZRUFLU-UHFFFAOYSA-N |