2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F394-0301 |
| Compound Name: | 2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H23 F N4 O3 S |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(Nc4cccc(c4)SC)=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5806 |
| logD: | 4.5806 |
| logSw: | -4.4054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.621 |
| InChI Key: | KBJSYCLZCGCQCC-UHFFFAOYSA-N |