2-[(7-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[(7-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
2-[(7-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0360 |
| Compound Name: | 2-[(7-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol |
| Molecular Weight: | 455.52 |
| Molecular Formula: | C22 H29 N7 O4 |
| Smiles: | C(CNc1cc(c(c2c1non2)[N+]([O-])=O)NCCO)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.423 |
| logD: | 2.092 |
| logSw: | -2.4959 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.085 |
| InChI Key: | VXVABKFZYAAQPU-UHFFFAOYSA-N |