3-benzyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-benzyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-benzyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0014 |
| Compound Name: | 3-benzyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C25 H18 F3 N3 O |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1266 |
| logD: | 5.1266 |
| logSw: | -5.7915 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9284 |
| InChI Key: | NKOKNMFSSFQAMD-UHFFFAOYSA-N |