2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-(2-phenylethyl)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-(2-phenylethyl)acetamide
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | S529-0650 |
| Compound Name: | 2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3613 |
| logD: | 1.3611 |
| logSw: | -1.8637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.98 |
| InChI Key: | MKLSTKHKAHWXTL-UHFFFAOYSA-N |