3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | F797-0536 |
| Compound Name: | 3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 414.39 |
| Molecular Formula: | C21 H17 F3 N4 O2 |
| Smiles: | C(CN1C=Nc2c3ccccc3[nH]c2C1=O)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6661 |
| logD: | 2.6661 |
| logSw: | -3.2584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | PDYKXMPKPXYKFY-UHFFFAOYSA-N |