Compound C28H29BrN2O5

6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine

CAS: 82802-95-7

Molecular Formula	`C28H29BrN2O5`
Molecular Weight	553.4 g/mol
LogP	5.2
Topological Polar Surface Area	61.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	552.126
Heavy Atoms	36
Complexity	762.0

Chemical Identifiers

CAS Number	82802-95-7
SMILES	`COC1=C(C=C2C3C4=CC(=C(C(=C4N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC)OC)OC)OC`
InChIKey	`CEGUZFHZPIISMF-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H29BrN2O5 (CAS: 82802-95-7) is a chemical compound with molecular formula C28H29BrN2O5 and molecular weight 553.4 g/mol. Its IUPAC systematic name is 6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine. LogP 5.2 Topological Polar Surface Area 61.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 552.126 Heavy Atoms 36 Complexity 762.0 InChI Key: CEGUZFHZPIISMF-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C3C4=CC(=C(C(=C4N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC)OC)OC)OC.

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