2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-propylacetamide
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | S529-0647 |
| Compound Name: | 2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-propylacetamide |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | CCCNC(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6535 |
| logD: | 0.6533 |
| logSw: | -1.6784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.251 |
| InChI Key: | NHULJJONFMZTCW-UHFFFAOYSA-N |