N-[(3-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(3-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0270 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C20 H24 N4 O3 |
| Smiles: | CCOc1cccc(CNC(CN2CCCc3c(cnc(C)n3)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.38 |
| logD: | 1.38 |
| logSw: | -2.2307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.718 |
| InChI Key: | QKWFXLRUODZNFK-UHFFFAOYSA-N |