2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(4-fluorophenyl)acetamide
2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E737-0298 |
| Compound Name: | 2-[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 490.92 |
| Molecular Formula: | C26 H20 Cl F N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1CC(Nc1ccc(cc1)F)=O)=O)c1cccc(c1)[Cl])=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 4.8669 |
| logD: | 4.8668 |
| logSw: | -4.7233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.885 |
| InChI Key: | PEHTWLMYDFHPCX-UHFFFAOYSA-N |