AC1LK07P

[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(1,3-benzodioxol-5-yl)methanone

Also Known As: Oprea1_708490|1,4-bis(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepane|AK-968/12713180|[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(1,3-benzodioxol-5-yl)methanone|1,4-diazepane-1,4-diylbis(1,3-benzodioxol-5-ylmethanone)|(1,4-diazepane-1,4-diyl)bis(benzo[d][1,3]dioxol-5-ylmethanone)|2H-benzo[3,4-d]1,3-dioxolan-5-yl 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonyl)( 1,4-diazaperhydroepinyl) ketone

Molecular Formula	C21H20N2O6
Molecular Weight	396.13214 g/mol
LogP	2.1323
Topological Polar Surface Area	77.54 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	396.13214
Monoisotopic Mass	396.13214
Heavy Atoms	29
Complexity	898.13885

Chemical Identifiers

CAS Number	353787-65-2
SMILES	C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5