N-[(3-bromophenyl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
N-[(3-bromophenyl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Compound characteristics
| Compound ID: | 8016-9204 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline |
| Molecular Weight: | 414.32 |
| Molecular Formula: | C18 H16 Br N5 S |
| Smiles: | [H]N(Cc1cccc(c1)[Br])c1cc(ccc1C)c1nn2c(C)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9674 |
| logD: | 3.9674 |
| logSw: | -4.1025 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.307 |
| InChI Key: | RVXMBBWWHMOTIA-UHFFFAOYSA-N |