N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-phenoxyacetamide
Chemical Structure Depiction of
N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-phenoxyacetamide
N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D097-0017 |
| Compound Name: | N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-phenoxyacetamide |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C26 H22 N2 O5 S |
| Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)NC(COc1ccccc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2219 |
| logD: | 0.9735 |
| logSw: | -4.4229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.965 |
| InChI Key: | CVESCNWXYUHGQP-UHFFFAOYSA-N |