5-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
5-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
5-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | C301-6216 |
| Compound Name: | 5-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 319.34 |
| Molecular Formula: | C14 H13 N3 O4 S |
| Smiles: | CN1C(N(C)c2cc(c(cc12)[N+]([O-])=O)SCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1193 |
| logD: | 3.1193 |
| logSw: | -3.4708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.481 |
| InChI Key: | XURZKNUSOASDBE-UHFFFAOYSA-N |