2-[(7-{[3-(4-benzylpiperidin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[(7-{[3-(4-benzylpiperidin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
2-[(7-{[3-(4-benzylpiperidin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0352 |
| Compound Name: | 2-[(7-{[3-(4-benzylpiperidin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C24 H32 N6 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)NCCCN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5122 |
| logD: | 3.0969 |
| logSw: | -4.2828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.527 |
| InChI Key: | NVTBRSFROSWCNP-UHFFFAOYSA-N |