N-(3-chloro-4-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamide
Compound characteristics
| Compound ID: | S466-0077 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamide |
| Molecular Weight: | 374.8 |
| Molecular Formula: | C18 H16 Cl F N4 O2 |
| Smiles: | Cc1cc2c(C(N3CCCC3=N2)=O)n1CC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4838 |
| logD: | 2.4606 |
| logSw: | -3.3965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.466 |
| InChI Key: | OQQUHMZPZHIIKR-UHFFFAOYSA-N |