3-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole
3-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-4480 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 416.38 |
| Molecular Formula: | C20 H22 Br N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1C)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3224 |
| logD: | 6.3224 |
| logSw: | -5.7593 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.0508 |
| InChI Key: | RDPAOGIULLAGKM-UHFFFAOYSA-N |