2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F394-0248 |
| Compound Name: | 2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C27 H23 F N4 O3 |
| Smiles: | COc1ccc(CNC(Cn2c3C(N(Cc4ccccc4)C=Nc3c3cc(ccc23)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6975 |
| logD: | 3.6975 |
| logSw: | -4.1603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.944 |
| InChI Key: | UWWFOQPDIUYYDE-UHFFFAOYSA-N |