ethyl 4-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8008-3101 |
| Compound Name: | ethyl 4-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 502.43 |
| Molecular Formula: | C22 H24 Br N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C(c2cccc(c2)[Br])=N1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4378 |
| logD: | 4.4158 |
| logSw: | -4.1721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.433 |
| InChI Key: | JXJMVKFDRODCNP-UHFFFAOYSA-N |