N-benzyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-benzyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0604 |
| Compound Name: | N-benzyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C23 H22 N4 O2 |
| Smiles: | C1Cc2c(cnc(c3ccccc3)n2)C(N(C1)CC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7306 |
| logD: | 2.7306 |
| logSw: | -3.2227 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.71 |
| InChI Key: | PJYRVBAAWCQQTC-UHFFFAOYSA-N |