methyl 4-{2-[2-(3,4-dimethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(3,4-dimethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
methyl 4-{2-[2-(3,4-dimethylphenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L385-1328 |
| Compound Name: | methyl 4-{2-[2-(3,4-dimethylphenyl)-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: | Cc1ccc(cc1C)C1CC(N(CC(Nc2ccc(cc2)C(=O)OC)=O)c2c(cccn2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4173 |
| logD: | 4.4171 |
| logSw: | -4.3326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.244 |
| InChI Key: | PEHYTTNIYAWDPR-UHFFFAOYSA-N |