methyl 2-amino-4-{5-[(1H-benzimidazol-1-yl)methyl]thiophen-3-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-{5-[(1H-benzimidazol-1-yl)methyl]thiophen-3-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{5-[(1H-benzimidazol-1-yl)methyl]thiophen-3-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8018-2735 |
| Compound Name: | methyl 2-amino-4-{5-[(1H-benzimidazol-1-yl)methyl]thiophen-3-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2cc(Cn3cnc4ccccc34)sc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1146 |
| logD: | 3.1018 |
| logSw: | -3.3931 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.923 |
| InChI Key: | IWBZROHPYZVIFH-HXUWFJFHSA-N |