2-(4-bromophenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-methylpropanamide
Chemical Structure Depiction of
2-(4-bromophenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-methylpropanamide
2-(4-bromophenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-methylpropanamide
Compound characteristics
| Compound ID: | J011-0437 |
| Compound Name: | 2-(4-bromophenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-methylpropanamide |
| Molecular Weight: | 500.42 |
| Molecular Formula: | C22 H22 Br N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(C(C)(C)Oc3ccc(cc3)[Br])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3337 |
| logD: | 4.3337 |
| logSw: | -4.2515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.602 |
| InChI Key: | QITBUYGLXBMRPW-UHFFFAOYSA-N |