2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | F796-0127 |
| Compound Name: | 2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 416.36 |
| Molecular Formula: | C20 H15 F3 N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CC(Nc3ccc(cc3)OC(F)(F)F)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.7781 |
| logD: | 3.7781 |
| logSw: | -4.1916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.383 |
| InChI Key: | HPEURBBOAJEJHB-UHFFFAOYSA-N |