2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide
2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S529-0198 |
| Compound Name: | 2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | Cc1cccc(CNC(CN2CCCc3c(cnc(C)n3)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.5837 |
| logD: | 1.5837 |
| logSw: | -2.2235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.595 |
| InChI Key: | NBDFJEOTJRKRPL-UHFFFAOYSA-N |