methyl N-[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
methyl N-[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G118-1527 |
| Compound Name: | methyl N-[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | COC(CCNC(N1Cc2ccccc2n2cccc2C1c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8439 |
| logD: | 3.8439 |
| logSw: | -3.9443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.846 |
| InChI Key: | PLUOJKNOEFIMHT-XMMPIXPASA-N |