2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F394-0044 |
| Compound Name: | 2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C28 H26 N4 O4 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(NCc1cccc(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6756 |
| logD: | 3.6756 |
| logSw: | -4.0524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.747 |
| InChI Key: | KCOSXTAVMODKQS-UHFFFAOYSA-N |