4-[({5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4800 |
| Compound Name: | 4-[({5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 379.23 |
| Molecular Formula: | C14 H11 Br N4 O2 S |
| Smiles: | C(c1ccc(/C=N/n2cnnc2S)o1)Oc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0335 |
| logD: | 3.0127 |
| logSw: | -3.0625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.627 |
| InChI Key: | NMARXDQQBLCYSU-UHFFFAOYSA-N |