N-(2H-1,3-benzodioxol-5-yl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0311 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 500.49 |
| Molecular Formula: | C27 H21 F N4 O5 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(Nc4ccc5c(c4)OCO5)=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9528 |
| logD: | 3.9527 |
| logSw: | -4.1744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.737 |
| InChI Key: | ZMGQURSKZIPMJU-UHFFFAOYSA-N |