6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0622 |
| Compound Name: | 6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | C1CCN(C1)C(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8831 |
| logD: | 1.8831 |
| logSw: | -2.5762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.997 |
| InChI Key: | GROZHFNYKCZEJQ-UHFFFAOYSA-N |