2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-(propan-2-yl)acetamide
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-(propan-2-yl)acetamide
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | S529-0660 |
| Compound Name: | 2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | CC(C)NC(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6715 |
| logD: | 0.6713 |
| logSw: | -1.6146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.384 |
| InChI Key: | XBLQBTLQUZCULO-UHFFFAOYSA-N |