methyl 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7901 |
| Compound Name: | methyl 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | Cc1c(Cn2cnc3ccccc23)cc(C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0395 |
| logD: | 3.0221 |
| logSw: | -3.4414 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.923 |
| InChI Key: | OEXVNXHQVIXVAH-OAQYLSRUSA-N |