1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Compound characteristics
| Compound ID: | L701-0819 |
| Compound Name: | 1-(azepan-1-yl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one |
| Molecular Weight: | 460.54 |
| Molecular Formula: | C24 H28 N8 O2 |
| Smiles: | C1CCCN(CC1)C(CCn1c2ccc(cc2nn1)c1nc(c2c3CCCCc3[nH]n2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.349 |
| logD: | 3.349 |
| logSw: | -3.6166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.725 |
| InChI Key: | VTANENIXKSZODB-UHFFFAOYSA-N |