3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
Chemical Structure Depiction of
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate
Compound characteristics
| Compound ID: | 6405-0055 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(acetyloxy)benzoate |
| Molecular Weight: | 503.53 |
| Molecular Formula: | C27 H21 N O7 S |
| Smiles: | CC(=O)Oc1ccccc1C(=O)OC1=C(C(c2ccccc2)=O)N(CC=C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4444 |
| logD: | 4.4444 |
| logSw: | -4.577 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.922 |
| InChI Key: | PEJWRTPEFXEGPY-UHFFFAOYSA-N |