N-[(4-fluorophenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-[(4-fluorophenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Compound characteristics
| Compound ID: | S529-0695 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C22 H20 F N5 O2 |
| Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6156 |
| logD: | 1.6154 |
| logSw: | -1.9032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.138 |
| InChI Key: | BCBIFFQTZRJABM-UHFFFAOYSA-N |