2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F796-0551 |
| Compound Name: | 2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 400.36 |
| Molecular Formula: | C20 H15 F3 N4 O2 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)NC(CN1C=Nc2c3ccccc3[nH]c2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4945 |
| logD: | 2.4945 |
| logSw: | -3.0929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | YDMBVPPBFJGBJM-UHFFFAOYSA-N |