2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}-1H-benzimidazole
2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | 8010-6561 |
| Compound Name: | 2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | CN1CCN(CC1)c1ccc(c(c1)Sc1nc2ccccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0044 |
| logD: | 2.4363 |
| logSw: | -3.508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.99 |
| InChI Key: | KIARFLACFIUZAE-UHFFFAOYSA-N |