ethyl 2-({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Chemical Structure Depiction of
ethyl 2-({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
ethyl 2-({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | C663-0377 |
| Compound Name: | ethyl 2-({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCOC(C(C)Sc1nnc(CNC(c2ccc(cc2)OC)=O)n1CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7077 |
| logD: | 3.7077 |
| logSw: | -3.9665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.178 |
| InChI Key: | QCMGGYMMUSHFRW-KRWDZBQOSA-N |