1-{1,3-bis[(6-chloropyridin-3-yl)methyl]-5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-3,3-dichloro-1-nitropropan-2-one
Chemical Structure Depiction of
1-{1,3-bis[(6-chloropyridin-3-yl)methyl]-5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-3,3-dichloro-1-nitropropan-2-one
1-{1,3-bis[(6-chloropyridin-3-yl)methyl]-5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-3,3-dichloro-1-nitropropan-2-one
Compound characteristics
| Compound ID: | 4872-0665 |
| Compound Name: | 1-{1,3-bis[(6-chloropyridin-3-yl)methyl]-5-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-3,3-dichloro-1-nitropropan-2-one |
| Molecular Weight: | 553.23 |
| Molecular Formula: | C23 H17 Cl4 N5 O3 |
| Smiles: | Cc1ccc2c(c1)N(Cc1ccc(nc1)[Cl])C(=C(\C(C([Cl])[Cl])=O)[N+]([O-])=O)\N2Cc1ccc(nc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1818 |
| logD: | 5.1818 |
| logSw: | -5.4378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.282 |
| InChI Key: | NYKMSXLZPXDXMX-UHFFFAOYSA-N |