2-(4-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)ethan-1-ol
Chemical Structure Depiction of
2-(4-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)ethan-1-ol
2-(4-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)ethan-1-ol
Compound characteristics
| Compound ID: | 8007-6489 |
| Compound Name: | 2-(4-{3-[(1H-benzimidazol-2-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)ethan-1-ol |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | C1CN(CCN1CCO)c1ccc(c(c1)Sc1nc2ccccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5461 |
| logD: | 2.3777 |
| logSw: | -2.7076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.959 |
| InChI Key: | QACLWOIBBYOHQP-UHFFFAOYSA-N |