methyl 4-[2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamido]benzoate
methyl 4-[2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S466-0106 |
| Compound Name: | methyl 4-[2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3',2'-d]pyrimidin-1-yl)acetamido]benzoate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | Cc1cc2c(C(N3CCCC3=N2)=O)n1CC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8444 |
| logD: | 1.8441 |
| logSw: | -2.4595 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.64 |
| InChI Key: | XUCROZSCMPVARY-UHFFFAOYSA-N |