2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0229 |
| Compound Name: | 2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 490.92 |
| Molecular Formula: | C26 H20 Cl F N4 O3 |
| Smiles: | COc1ccc(cc1NC(Cn1c2C(N(Cc3ccccc3)C=Nc2c2cc(ccc12)F)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3902 |
| logD: | 4.3805 |
| logSw: | -4.5523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.01 |
| InChI Key: | QGIPUFQSBTYXAH-UHFFFAOYSA-N |