N-[(4-methylphenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(4-methylphenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | F797-0049 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1ccc(CNC(CCN2C=Nc3c4ccccc4[nH]c3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2908 |
| logD: | 2.2908 |
| logSw: | -2.6965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | OCSZOSKMQGQOPT-UHFFFAOYSA-N |