2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{[4-(propan-2-yl)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)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)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | S529-0644 |
| 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)phenyl]methyl}acetamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C26 H28 N4 O2 |
| Smiles: | CC(C)c1ccc(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0687 |
| logD: | 4.0687 |
| logSw: | -4.0005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.71 |
| InChI Key: | HHGIESGRBSRUDH-UHFFFAOYSA-N |