1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
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-methoxybenzoate
1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | D316-0173 |
| Compound Name: | 1,1-dioxo-2-(propan-2-yl)-3-[(pyrimidin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methoxybenzoate |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C24 H22 N4 O6 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)OC)=O)C(Nc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1049 |
| logD: | 0.6306 |
| logSw: | -3.808 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.959 |
| InChI Key: | KAFXNBAKKXHBSM-UHFFFAOYSA-N |