5-benzyl-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
5-benzyl-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
5-benzyl-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0446 |
| Compound Name: | 5-benzyl-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C25 H20 F N3 O2 |
| Smiles: | COc1cccc(CN2C=Nc3c4cc(ccc4n(Cc4ccccc4)c3C2=O)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6055 |
| logD: | 4.6055 |
| logSw: | -4.5525 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.472 |
| InChI Key: | MHGVBEQZVVLIIX-UHFFFAOYSA-N |