2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}acetamide
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | S529-0795 |
| Compound Name: | 2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}acetamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C27 H30 N4 O2 |
| Smiles: | CC(C)c1ccc(cc1)C(C)NC(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2986 |
| logD: | 4.2986 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.873 |
| InChI Key: | VXUMULWODGHCNI-IBGZPJMESA-N |