N-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-[(2-chlorophenyl)methyl]-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: | F394-0281 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 504.95 |
| Molecular Formula: | C27 H22 Cl F N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(NCc4ccccc4[Cl])=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4795 |
| logD: | 4.4795 |
| logSw: | -4.4627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.944 |
| InChI Key: | QBPYVWAIGOKYBD-UHFFFAOYSA-N |