ethyl N-({1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamoyl)-beta-alaninate
ethyl N-({1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y206-8677 |
| Compound Name: | ethyl N-({1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C15 H18 F N5 O3 |
| Smiles: | CCOC(CCNC(Nc1ncn(Cc2ccc(cc2)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4553 |
| logD: | 1.4549 |
| logSw: | -2.2455 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.357 |
| InChI Key: | YALJJFDISZBXIN-UHFFFAOYSA-N |