N-methyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
N-methyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(pyridin-3-yl)methyl]acetamide
N-methyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S529-0599 |
| Compound Name: | N-methyl-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | CN(Cc1cccnc1)C(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7798 |
| logD: | 1.7794 |
| logSw: | -1.9254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.651 |
| InChI Key: | PEQMNHZTPBSOPJ-UHFFFAOYSA-N |