3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate
Compound characteristics
Compound ID: | 6405-0057 |
Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-bromobenzoate |
Molecular Weight: | 524.39 |
Molecular Formula: | C25 H18 Br N O5 S |
Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)OC(c1ccc(cc1)[Br])=O)C(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.5096 |
logD: | 5.5096 |
logSw: | -5.9126 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 66.085 |
InChI Key: | RNOQYBCNEWUVNC-UHFFFAOYSA-N |