2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3,4-dimethylphenyl)acetamide
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0012 |
| Compound Name: | 2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C27 H24 N4 O2 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9444 |
| logD: | 4.9444 |
| logSw: | -4.8998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | IOBIFZZWTXREKZ-UHFFFAOYSA-N |