2-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
2-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4298-0389 |
| Compound Name: | 2-{[(3-nitro-4-propoxyphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1) |
| Molecular Weight: | 331.82 |
| Molecular Formula: | C13 H17 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCCOc1ccc(CSC2NCCN=2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8603 |
| logD: | 1.9598 |
| logSw: | -3.3712 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.549 |
| InChI Key: | KMNDFMMYEPEZNX-UHFFFAOYSA-N |