6-amino-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile
6-amino-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile
Compound characteristics
| Compound ID: | 8017-2436 |
| Compound Name: | 6-amino-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C19 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(C(c2ccccc2)SC(=C1C#N)N)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7798 |
| logD: | 2.761 |
| logSw: | -3.9661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.972 |
| InChI Key: | KBMHVFMSHPQZFZ-UHFFFAOYSA-N |