methyl 3-[(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | S727-0562 |
| Compound Name: | methyl 3-[(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C19 H18 F N5 O4 S |
| Smiles: | COC(c1c(ccs1)NC(N1CC(C1)n1cc(COc2ccc(cc2)F)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3326 |
| logD: | 2.325 |
| logSw: | -2.7816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.129 |
| InChI Key: | AYLGKACXLZBBCR-UHFFFAOYSA-N |