5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0689 |
| Compound Name: | 5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 505.98 |
| Molecular Formula: | C28 H25 Cl F N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCc3ccc(c(c3)OC)OC)C=N1)=O)n2Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.788 |
| logD: | 5.788 |
| logSw: | -5.9612 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.168 |
| InChI Key: | NBKTYCJSHJFRRW-UHFFFAOYSA-N |