5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0470 |
| Compound Name: | 5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C28 H26 F N3 O |
| Smiles: | CC(CN1C=Nc2c3cc(ccc3n(Cc3cc(C)ccc3C)c2C1=O)F)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9257 |
| logD: | 6.9257 |
| logSw: | -5.6942 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9284 |
| InChI Key: | NAULQKXKMZKHRH-FQEVSTJZSA-N |