N-[(4-fluorophenyl)methyl]-3-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-1,2,4-oxadiazole-5-carboxamide
N-[(4-fluorophenyl)methyl]-3-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | IB07-8289 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 409.37 |
| Molecular Formula: | C21 H16 F N3 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCc1nc(C(NCc2ccc(cc2)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.52 |
| logD: | 2.52 |
| logSw: | -3.51 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.78 |
| InChI Key: | YRQILXDDFQNUSI-UHFFFAOYSA-N |