2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-2H-1,4-benzothiazin-3(4H)-one
2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | 8012-7811 |
| Compound Name: | 2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 417.28 |
| Molecular Formula: | C18 H13 Br N2 O3 S |
| Smiles: | CC(N1C(C(C2C(Nc3ccccc3S2)=O)c2cc(ccc12)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.357 |
| logD: | 2.3521 |
| logSw: | -3.0061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.637 |
| InChI Key: | MRTUYFPDSFAJKX-UHFFFAOYSA-N |