2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-6748 |
| Compound Name: | 2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C27 H21 F3 N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4ccccc4n(CC(Nc4cccc(c4)C(F)(F)F)=O)c3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9826 |
| logD: | 4.9814 |
| logSw: | -4.9722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.621 |
| InChI Key: | QYNOXLKZMZAOTJ-UHFFFAOYSA-N |