2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-0463 |
| Compound Name: | 2-{[3-(trifluoromethyl)phenyl]methyl}-1-(2,4,5-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: | COc1cc(c(cc1C1c2cccn2CCCN1Cc1cccc(c1)C(F)(F)F)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7204 |
| logD: | 4.6711 |
| logSw: | -4.6046 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.8331 |
| InChI Key: | RRNGWYGYBTZIRM-XMMPIXPASA-N |