N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
Compound characteristics
| Compound ID: | J097-0389 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C24 H20 N2 O5 S |
| Smiles: | C=CCN1c2ccc(cc2c2ccccc2S1(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8301 |
| logD: | 3.8301 |
| logSw: | -4.1597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.541 |
| InChI Key: | KCGSWGDSZHBWQB-UHFFFAOYSA-N |