benzyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
benzyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
benzyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 3132-1282 |
| Compound Name: | benzyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C21 H17 Cl N2 O3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cccc(c1)[Cl])C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7886 |
| logD: | 3.7886 |
| logSw: | -4.4591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.55 |
| InChI Key: | NNHTUGCQKNIDJG-LJQANCHMSA-N |