(pyrrolidin-1-yl)(4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methanone
Chemical Structure Depiction of
(pyrrolidin-1-yl)(4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methanone
(pyrrolidin-1-yl)(4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methanone
Compound characteristics
Compound ID: | M400-0317 |
Compound Name: | (pyrrolidin-1-yl)(4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methanone |
Molecular Weight: | 404.43 |
Molecular Formula: | C22 H23 F3 N2 O2 |
Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)Cc2ccc(cc2)C(F)(F)F)c1)=O |
Stereo: | ACHIRAL |
logP: | 3.9008 |
logD: | 3.6065 |
logSw: | -4.052 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 28.9295 |
InChI Key: | SURLKHJCQDOUGD-UHFFFAOYSA-N |