2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]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-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | S529-0652 |
| Compound Name: | 2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | C1CC(N(C1)CCCNC(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7485 |
| logD: | -0.7487 |
| logSw: | -1.5157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.492 |
| InChI Key: | FYQBQMWKZSJMQZ-UHFFFAOYSA-N |