2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(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-[2-(trifluoromethyl)phenyl]acetamide
2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F394-0078 |
| Compound Name: | 2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C27 H21 F3 N4 O3 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2CC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4549 |
| logD: | 4.4549 |
| logSw: | -4.3759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.924 |
| InChI Key: | ZTVNRQHUEZVSHQ-UHFFFAOYSA-N |