N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | D323-0216 |
| Compound Name: | N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 418.27 |
| Molecular Formula: | C17 H12 Br N3 O3 S |
| Smiles: | C1C(C(Nc2nc(c3ccc(cc3)[Br])ns2)=O)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8091 |
| logD: | 4.8079 |
| logSw: | -4.9068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.354 |
| InChI Key: | RMBDXDPQWHWURH-AWEZNQCLSA-N |