methyl N-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
methyl N-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G118-0315 |
| Compound Name: | methyl N-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 407.44 |
| Molecular Formula: | C23 H22 F N3 O3 |
| Smiles: | COC(CCNC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2104 |
| logD: | 4.2104 |
| logSw: | -4.1817 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.585 |
| InChI Key: | NYEHGBPMQGJODA-JOCHJYFZSA-N |