N-[(2-methoxyphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-[(2-methoxyphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Compound characteristics
| Compound ID: | S529-0654 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | COc1ccccc1CNC(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8079 |
| logD: | 1.8077 |
| logSw: | -2.1153 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.769 |
| InChI Key: | ZJUCXSYZFGXFLQ-UHFFFAOYSA-N |