N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide
Compound characteristics
| Compound ID: | F394-0429 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamide |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C28 H24 N4 O4 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0175 |
| logD: | 4.0175 |
| logSw: | -4.1397 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.515 |
| InChI Key: | AOQRMALIWJMCOA-UHFFFAOYSA-N |