2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-(4-methylphenyl)acetamide
2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | S529-0155 |
| Compound Name: | 2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1)NC(CN1CCCc2c(cnc(C)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7409 |
| logD: | 1.7409 |
| logSw: | -2.4714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.272 |
| InChI Key: | XADVZZAYEVLDKJ-UHFFFAOYSA-N |