ethyl 2-({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Chemical Structure Depiction of
ethyl 2-({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
ethyl 2-({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | C663-0363 |
| Compound Name: | ethyl 2-({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Smiles: | CCc1cccc(CC)c1n1c(CNC(c2ccc(cc2)OC)=O)nnc1SC(C)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1516 |
| logD: | 5.1516 |
| logSw: | -4.9691 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.341 |
| InChI Key: | NFEDOZNDQRRINN-KRWDZBQOSA-N |