2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-methoxyphenyl)acetamide
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0347 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 490.92 |
| Molecular Formula: | C26 H20 Cl F N4 O3 |
| Smiles: | COc1ccc(cc1)NC(Cn1c2C(N(Cc3ccccc3[Cl])C=Nc2c2cc(ccc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9381 |
| logD: | 4.9381 |
| logSw: | -4.9524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.621 |
| InChI Key: | QKJUEZAMTZWHCU-UHFFFAOYSA-N |