1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 6220-1325 |
| Compound Name: | 1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 472.41 |
| Molecular Formula: | C21 H22 Br N5 O S |
| Smiles: | C1CN(CCC1C(N)=O)CN1C(N(C(c2cccc(c2)[Br])=N1)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3516 |
| logD: | 1.6452 |
| logSw: | -3.4237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.712 |
| InChI Key: | VWJJNZKSNLDMGG-UHFFFAOYSA-N |