ethyl 3-amino-2-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)but-2-enoate
Chemical Structure Depiction of
ethyl 3-amino-2-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)but-2-enoate
ethyl 3-amino-2-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)but-2-enoate
Compound characteristics
| Compound ID: | 8016-1840 |
| Compound Name: | ethyl 3-amino-2-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)but-2-enoate |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C17 H19 F N4 O3 S |
| Smiles: | CCOC(C(=C(/C)N)\C(CSc1nnc(c2ccc(cc2)F)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3365 |
| logD: | 2.3255 |
| logSw: | -2.4974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.849 |
| InChI Key: | BAVHAUPPFPOMDI-UHFFFAOYSA-N |