2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F394-0050 |
| Compound Name: | 2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C27 H22 N4 O4 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9295 |
| logD: | 2.9294 |
| logSw: | -3.2987 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.901 |
| InChI Key: | OCVFDSDDOGCDIU-UHFFFAOYSA-N |