8-fluoro-3-[(3-methoxyphenyl)methyl]-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-fluoro-3-[(3-methoxyphenyl)methyl]-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-fluoro-3-[(3-methoxyphenyl)methyl]-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0460 |
| Compound Name: | 8-fluoro-3-[(3-methoxyphenyl)methyl]-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C29 H25 F N4 O3 |
| Smiles: | COc1cccc(CN2C=Nc3c4cc(ccc4n(Cc4ccc(cc4)N4CCCC4=O)c3C2=O)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3923 |
| logD: | 4.3923 |
| logSw: | -4.4535 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.289 |
| InChI Key: | GXUAYHACKUJHNA-UHFFFAOYSA-N |