N-(4-bromo-2-fluorophenyl)-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-(4-bromo-2-fluorophenyl)-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
N-(4-bromo-2-fluorophenyl)-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: | J097-0523 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C22 H16 Br F N2 O3 S |
| Smiles: | C=CCN1c2ccc(cc2c2ccccc2S1(=O)=O)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1298 |
| logD: | 4.9904 |
| logSw: | -5.3089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.405 |
| InChI Key: | BJVAELVLUAIEDG-UHFFFAOYSA-N |