N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | F797-0514 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C21 H18 N4 O4 |
| Smiles: | C(CN1C=Nc2c3ccccc3[nH]c2C1=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7805 |
| logD: | 1.7805 |
| logSw: | -2.5062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.863 |
| InChI Key: | MEPJPZLNQHEBSC-UHFFFAOYSA-N |