{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | Y502-6053 |
| Compound Name: | {[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 310.17 |
| Molecular Formula: | C10 H8 Br N5 S |
| Smiles: | C(C#N)Sc1nnc(c2ccc(cc2)[Br])n1N |
| Stereo: | ACHIRAL |
| logP: | 1.9768 |
| logD: | 1.9768 |
| logSw: | -2.0609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.903 |
| InChI Key: | JORNXLXROKWSMP-UHFFFAOYSA-N |