methyl [(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate
methyl [(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G071-0074 |
| Compound Name: | methyl [(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C20 H17 N3 O4 S2 |
| Smiles: | COC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.014 |
| logD: | 3.014 |
| logSw: | -3.5549 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.017 |
| InChI Key: | BKAQOORLBSCUFX-UHFFFAOYSA-N |