1-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one
Chemical Structure Depiction of
1-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one
1-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one
Compound characteristics
| Compound ID: | 8013-7791 |
| Compound Name: | 1-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one |
| Molecular Weight: | 424.36 |
| Molecular Formula: | C18 H22 Br N3 O2 S |
| Smiles: | CC(C)(C)C(CSc1nnc(COc2ccc(cc2)[Br])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4215 |
| logD: | 4.4215 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.213 |
| InChI Key: | ONJDOKQPWDVVFF-UHFFFAOYSA-N |