N-{[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide
N-{[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | G944-0629 |
| Compound Name: | N-{[3-(1-cyclopentyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | Cc1ccc(cc1)C(NCc1nc(c2ccc3c(c2)nnn3C2CCCC2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1884 |
| logD: | 4.1883 |
| logSw: | -4.2066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.756 |
| InChI Key: | PLDWNWNQYJFKRB-UHFFFAOYSA-N |