N-[(3-fluorophenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(3-fluorophenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0191 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C18 H19 F N4 O2 |
| Smiles: | Cc1ncc2C(N(CCCc2n1)CC(NCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0593 |
| logD: | 1.0593 |
| logSw: | -2.1586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.595 |
| InChI Key: | LSEIEZSPCMTPMZ-UHFFFAOYSA-N |