3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}propanamide
3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | C200-7776 |
| Compound Name: | 3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}propanamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H23 F N4 O2 |
| Smiles: | CC(C)c1ccc(CNC(CCN2C=Nc3c4cc(ccc4[nH]c3C2=O)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.285 |
| logD: | 3.285 |
| logSw: | -3.5232 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | HYFCBCPLPJFJPJ-UHFFFAOYSA-N |