N-(3-ethylphenyl)-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-(3-ethylphenyl)-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0147 |
| Compound Name: | N-(3-ethylphenyl)-2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | CCc1cccc(c1)NC(CN1CCCc2c(cnc(C)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.108 |
| logD: | 2.1079 |
| logSw: | -2.9368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.272 |
| InChI Key: | JVGKFGDSTROFDE-UHFFFAOYSA-N |