3-[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
3-[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G944-0607 |
| Compound Name: | 3-[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C22 H17 N5 O3 |
| Smiles: | C1CCC(C1)n1c2ccc(cc2nn1)c1nc(C2=Cc3ccccc3OC2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2054 |
| logD: | 4.2054 |
| logSw: | -4.5987 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.327 |
| InChI Key: | WCDMNTUJDSLWFQ-UHFFFAOYSA-N |