6-amino-4-(4-chlorophenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(4-chlorophenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile
6-amino-4-(4-chlorophenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile
Compound characteristics
| Compound ID: | 8017-2702 |
| Compound Name: | 6-amino-4-(4-chlorophenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-5-carbonitrile |
| Molecular Weight: | 371.84 |
| Molecular Formula: | C18 H14 Cl N3 O2 S |
| Smiles: | C(C1C(C(C(c2ccccc2)SC=1N)[N+]([O-])=O)c1ccc(cc1)[Cl])#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9511 |
| logD: | 2.9323 |
| logSw: | -4.8069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.972 |
| InChI Key: | SRGMDLGXBVNOOH-UHFFFAOYSA-N |