N-[1-(4-methoxyphenyl)propyl]-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)propyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[1-(4-methoxyphenyl)propyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0794 |
| Compound Name: | N-[1-(4-methoxyphenyl)propyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | CCC(c1ccc(cc1)OC)NC(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6997 |
| logD: | 3.6997 |
| logSw: | -3.7778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.884 |
| InChI Key: | VCEMQJBNDDCUQJ-QFIPXVFZSA-N |