3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
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-methylbenzoate
3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | 6405-0053 |
| Compound Name: | 3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-methylbenzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C26 H21 N O5 S |
| Smiles: | Cc1ccc(cc1)C(=O)OC1=C(C(c2ccccc2)=O)N(CC=C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0991 |
| logD: | 5.0991 |
| logSw: | -4.9274 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.085 |
| InChI Key: | JPDZIEOBFJONIL-UHFFFAOYSA-N |