2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-3-yl)methyl]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-[(pyridin-3-yl)methyl]acetamide
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
Compound ID: | S529-0668 |
Compound Name: | 2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-3-yl)methyl]acetamide |
Molecular Weight: | 388.43 |
Molecular Formula: | C21 H20 N6 O2 |
Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(NCc1cccnc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.3588 |
logD: | 0.3564 |
logSw: | -1.4252 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.656 |
InChI Key: | YKEDBZRFISBIDX-UHFFFAOYSA-N |