4-{5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methanesulfonyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine
Chemical Structure Depiction of
4-{5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methanesulfonyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine
4-{5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methanesulfonyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine
Compound characteristics
| Compound ID: | 8018-9581 |
| Compound Name: | 4-{5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methanesulfonyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-amine |
| Molecular Weight: | 457.26 |
| Molecular Formula: | C14 H13 Br N6 O5 S |
| Smiles: | CCn1c(c2c(N)non2)nnc1S(Cc1cc2c(cc1[Br])OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0619 |
| logD: | 2.0619 |
| logSw: | -2.2641 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.574 |
| InChI Key: | ZWYQELHLQACSAQ-UHFFFAOYSA-N |