2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Chemical Structure Depiction of
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Compound characteristics
| Compound ID: | S529-0643 |
| Compound Name: | 2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | CC(C)Oc1ccc(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3971 |
| logD: | 3.3971 |
| logSw: | -3.5629 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.513 |
| InChI Key: | PGTZGDKBUXTFEG-UHFFFAOYSA-N |