N-(3-ethylphenyl)-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-(3-ethylphenyl)-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0542 |
| Compound Name: | N-(3-ethylphenyl)-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C24 H24 N4 O2 |
| Smiles: | CCc1cccc(c1)NC(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9433 |
| logD: | 3.9433 |
| logSw: | -3.7741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.388 |
| InChI Key: | KOWHJWHYIOSUFC-UHFFFAOYSA-N |