methyl 6-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7714 |
| Compound Name: | methyl 6-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(Cn2cnc3ccccc23)c(C)s1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8681 |
| logD: | 2.8506 |
| logSw: | -3.238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.07 |
| InChI Key: | CNNJBBYZLNJBSO-FQEVSTJZSA-N |