4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
Compound ID: | F390-0089 |
Compound Name: | 4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
Molecular Weight: | 454.34 |
Molecular Formula: | C22 H16 Br N O3 S |
Smiles: | Cc1ccc(cc1)C(C1=CN(c2ccc(cc2)[Br])c2ccccc2S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7295 |
logD: | 4.7295 |
logSw: | -4.6275 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.417 |
InChI Key: | XEXWDSBTFOQYTI-UHFFFAOYSA-N |