2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F394-0237 |
| Compound Name: | 2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C26 H21 F N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(Cn1c2C(N(Cc3ccccc3)C=Nc2c2cc(ccc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5983 |
| logD: | 4.5983 |
| logSw: | -4.3886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | HTPWDQFQHNXWFY-UHFFFAOYSA-N |