2-(4-bromophenoxy)-2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Chemical Structure Depiction of
2-(4-bromophenoxy)-2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
2-(4-bromophenoxy)-2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | J011-0285 |
| Compound Name: | 2-(4-bromophenoxy)-2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C21 H20 Br N5 O2 S |
| Smiles: | Cc1nnc2n1nc(c1ccc(CNC(C(C)(C)Oc3ccc(cc3)[Br])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7035 |
| logD: | 3.7035 |
| logSw: | -3.9885 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.403 |
| InChI Key: | CYOTYGXAOKBFNG-UHFFFAOYSA-N |