3-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0512 |
| Compound Name: | 3-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C25 H19 Cl F N3 O |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.5526 |
| logD: | 5.5526 |
| logSw: | -5.8807 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9284 |
| InChI Key: | PJSZWNXLLGAKKQ-UHFFFAOYSA-N |