(5-bromopyridin-3-yl)(1'-methyl-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl)methanone
Chemical Structure Depiction of
(5-bromopyridin-3-yl)(1'-methyl-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl)methanone
(5-bromopyridin-3-yl)(1'-methyl-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl)methanone
Compound characteristics
Compound ID: | S530-0072 |
Compound Name: | (5-bromopyridin-3-yl)(1'-methyl-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl)methanone |
Molecular Weight: | 416.32 |
Molecular Formula: | C20 H22 Br N3 O2 |
Smiles: | CN1CCC2(CC1)CN(Cc1ccccc1O2)C(c1cc(cnc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 2.6265 |
logD: | 0.3453 |
logSw: | -2.8142 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.712 |
InChI Key: | BKGQTLKSMAQKSK-UHFFFAOYSA-N |