3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate
Chemical Structure Depiction of
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate
Compound characteristics
| Compound ID: | 4965-0070 |
| Compound Name: | 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C17 H14 N O4 S |
| Salt: | (C4H9)2NH2+ |
| Smiles: | CCN1C(=C(c2ccccc2S1(=O)=O)[O-])C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9992 |
| logD: | 2.9992 |
| logSw: | -3.5562 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.206 |
| InChI Key: | JMAPLYWTURMZDC-UHFFFAOYSA-M |