ethyl 6-amino-4-(5-bromothiophen-2-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-(5-bromothiophen-2-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
ethyl 6-amino-4-(5-bromothiophen-2-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6191 |
| Compound Name: | ethyl 6-amino-4-(5-bromothiophen-2-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate |
| Molecular Weight: | 403.68 |
| Molecular Formula: | C14 H12 Br Cl N2 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C[Cl])c1ccc(s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0816 |
| logD: | 3.0816 |
| logSw: | -3.3076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.659 |
| InChI Key: | QQNGSHRTJNCOQL-NSHDSACASA-N |