2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,3,4-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,3,4-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,3,4-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V005-7598 |
| Compound Name: | 2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,3,4-trimethoxyphenyl)-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(C2c3cccn3CCCN2Cc2cccc(c2)C(F)(F)F)c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.177 |
| logD: | 5.1277 |
| logSw: | -5.2438 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.0064 |
| InChI Key: | XDDOSRASMUOEKC-JOCHJYFZSA-N |