3-benzoyl-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-benzoyl-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione
3-benzoyl-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | 3704-0459 |
| Compound Name: | 3-benzoyl-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | Cc1ccc(C(CN2C(=C(c3ccccc3S2(=O)=O)O)C(c2ccccc2)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7548 |
| logD: | 3.1081 |
| logSw: | -4.4302 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.457 |
| InChI Key: | LXFMHLHQSMZTNZ-UHFFFAOYSA-N |