N-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-[(2,3-dimethoxyphenyl)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: | S529-0701 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | COc1cccc(CNC(CN2CCCc3c(cnc(c4ccncc4)n3)C2=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7275 |
| logD: | 1.7273 |
| logSw: | -2.0595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.486 |
| InChI Key: | LKLULRZPKBUAMI-UHFFFAOYSA-N |