N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 3202-0065 |
| Compound Name: | N-{5-[(2,4-dibromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 513.16 |
| Molecular Formula: | C17 H11 Br2 N3 O4 S |
| Smiles: | C(c1nnc(NC(c2ccc3c(c2)OCO3)=O)s1)Oc1ccc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7996 |
| logD: | 4.4849 |
| logSw: | -4.9516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.799 |
| InChI Key: | OGDZTZBMEORJTA-UHFFFAOYSA-N |