N-[1-(4-methoxyphenyl)ethyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-[1-(4-methoxyphenyl)ethyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[1-(4-methoxyphenyl)ethyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0788 |
| Compound Name: | N-[1-(4-methoxyphenyl)ethyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CC(c1ccc(cc1)OC)NC(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9428 |
| logD: | 2.9428 |
| logSw: | -3.3568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.417 |
| InChI Key: | ICZDATQQUBUUEQ-KRWDZBQOSA-N |