2-({[3-nitro-4-(pentyloxy)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({[3-nitro-4-(pentyloxy)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
2-({[3-nitro-4-(pentyloxy)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3455-1111 |
| Compound Name: | 2-({[3-nitro-4-(pentyloxy)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1) |
| Molecular Weight: | 359.87 |
| Molecular Formula: | C15 H21 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCCCCOc1ccc(CSC2NCCN=2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8835 |
| logD: | 2.9829 |
| logSw: | -3.8419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.549 |
| InChI Key: | IBZDVSPZSFPNTR-UHFFFAOYSA-N |