N-[(5-methylfuran-2-yl)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-[(5-methylfuran-2-yl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-[(5-methylfuran-2-yl)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: | S529-0691 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1ccc(CNC(CN2CCCc3c(cnc(c4ccncc4)n3)C2=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.6441 |
| logD: | 1.6439 |
| logSw: | -2.031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.401 |
| InChI Key: | QAAKEVDOXWOKDY-UHFFFAOYSA-N |