N-(2-chlorophenyl)-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)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2-chlorophenyl)-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: | F394-0284 |
| Compound Name: | N-(2-chlorophenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 490.92 |
| Molecular Formula: | C26 H20 Cl F N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(Nc4ccccc4[Cl])=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1705 |
| logD: | 4.1701 |
| logSw: | -4.2913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.924 |
| InChI Key: | IOTPGHMHOSBOJG-UHFFFAOYSA-N |