5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-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-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0436 |
| Compound Name: | 5-[(2-chloro-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 509.94 |
| Molecular Formula: | C27 H22 Cl F2 N3 O3 |
| Smiles: | COc1ccc(CCN2C=Nc3c4cc(ccc4n(Cc4ccc(cc4[Cl])F)c3C2=O)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.3986 |
| logD: | 5.3986 |
| logSw: | -5.9863 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.168 |
| InChI Key: | LZXMSSYBFZKAAM-UHFFFAOYSA-N |