({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | D432-0183 |
| Compound Name: | ({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | C(CSCc1ccccc1)c1nnc(n1Cc1ccccc1)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2709 |
| logD: | -0.0216 |
| logSw: | -3.2195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.601 |
| InChI Key: | RBDBLQYPJSKDIH-UHFFFAOYSA-N |