N-benzyl-2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-benzyl-2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0057 |
| Compound Name: | N-benzyl-2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C26 H22 N4 O3 S2 |
| Smiles: | C(c1ccccc1)NC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0753 |
| logD: | 4.0753 |
| logSw: | -4.2244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.638 |
| InChI Key: | SMGVJEPJPWTQAQ-UHFFFAOYSA-N |