2-[(7-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[(7-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
2-[(7-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0289 |
| Compound Name: | 2-[(7-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C21 H25 Cl N6 O5 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8005 |
| logD: | 3.7783 |
| logSw: | -4.2389 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.526 |
| InChI Key: | CBTDVLMGOBFVLH-UHFFFAOYSA-N |