2-({6-[(3-fluorophenyl)methyl]-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-[(3-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({6-[(3-fluorophenyl)methyl]-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: | G071-0283 |
| Compound Name: | 2-({6-[(3-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 534.63 |
| Molecular Formula: | C27 H23 F N4 O3 S2 |
| Smiles: | C(CNC(CSc1ncc2c(c3ccccc3N(Cc3cccc(c3)F)S2(=O)=O)n1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9722 |
| logD: | 3.9722 |
| logSw: | -4.1443 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.479 |
| InChI Key: | XRZHFNMQEBUKCK-UHFFFAOYSA-N |