1-[4-(trifluoromethyl)phenyl]-2-[(2,3,4-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-[4-(trifluoromethyl)phenyl]-2-[(2,3,4-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-[4-(trifluoromethyl)phenyl]-2-[(2,3,4-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-3023 |
| Compound Name: | 1-[4-(trifluoromethyl)phenyl]-2-[(2,3,4-trimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C25 H27 F3 N2 O3 |
| Smiles: | COc1ccc(CN2CCCn3cccc3C2c2ccc(cc2)C(F)(F)F)c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3121 |
| logD: | 4.651 |
| logSw: | -5.4266 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.0064 |
| InChI Key: | ZQDFFZMJIHBFHA-JOCHJYFZSA-N |