N-(3,4-difluorophenyl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(3,4-difluorophenyl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | C200-6755 |
| Compound Name: | N-(3,4-difluorophenyl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 474.47 |
| Molecular Formula: | C26 H20 F2 N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4ccccc4n(CC(Nc4ccc(c(c4)F)F)=O)c3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.296 |
| logD: | 4.2746 |
| logSw: | -4.4076 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.621 |
| InChI Key: | RPEHPTXZURTAQI-UHFFFAOYSA-N |