methyl 2-{2-[2-(4-ethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[2-(4-ethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
methyl 2-{2-[2-(4-ethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L385-1232 |
| Compound Name: | methyl 2-{2-[2-(4-ethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C26 H24 N4 O4 |
| Smiles: | CCc1ccc(cc1)C1CC(N(CC(Nc2ccccc2C(=O)OC)=O)c2c(cccn2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0217 |
| logD: | 3.9996 |
| logSw: | -4.1884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.546 |
| InChI Key: | OTSKEAIPYWKQQG-UHFFFAOYSA-N |