3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
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-methylphenoxy)acetate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | 6405-0062 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C27 H23 N O6 S |
| Smiles: | Cc1ccc(cc1)OCC(=O)OC1=C(C(c2ccccc2)=O)N(CC=C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7464 |
| logD: | 4.7464 |
| logSw: | -4.7007 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.989 |
| InChI Key: | XTKKJTUSKBBCPV-UHFFFAOYSA-N |