1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
Chemical Structure Depiction of
1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate
Compound characteristics
| Compound ID: | D316-0175 |
| Compound Name: | 1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-fluorobenzoate |
| Molecular Weight: | 482.49 |
| Molecular Formula: | C23 H19 F N4 O5 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)F)=O)C(Nc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1516 |
| logD: | 0.6773 |
| logSw: | -3.8328 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.415 |
| InChI Key: | LQWLBUJMXNXNHE-UHFFFAOYSA-N |