2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-phenylpropyl)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-phenylpropyl)acetamide
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | F394-0307 |
| Compound Name: | 2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C29 H27 F N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(NCCCc4ccccc4)=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4487 |
| logD: | 4.4487 |
| logSw: | -4.4289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.785 |
| InChI Key: | YTSKFRUBCXHWSN-UHFFFAOYSA-N |