2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(3-methoxyphenyl)methyl]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-methoxyphenyl)methyl]acetamide
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F394-0309 |
| Compound Name: | 2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C28 H25 F N4 O4 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(NCc4cccc(c4)OC)=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7947 |
| logD: | 3.7947 |
| logSw: | -4.199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.487 |
| InChI Key: | OTWHWSIJJIRISI-UHFFFAOYSA-N |