N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-(2,4-difluorophenyl)-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: | S529-0676 |
| Compound Name: | N-(2,4-difluorophenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 409.39 |
| Molecular Formula: | C21 H17 F2 N5 O2 |
| Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(Nc1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9247 |
| logD: | 1.9159 |
| logSw: | -2.5593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.118 |
| InChI Key: | CVYGMWDAVYCBEQ-UHFFFAOYSA-N |