Compound C18H28Cl2N2O2

7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride

CAS: 96401-80-8

Molecular Formula	`C18H28Cl2N2O2`
Molecular Weight	375.3 g/mol
Topological Polar Surface Area	32.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	374.15277
Heavy Atoms	24
Complexity	393.0

Chemical Identifiers

CAS Number	96401-80-8
SMILES	`CC1=CC2=C(C=C1C)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl`
InChIKey	`OAMAHFVWQCCIQX-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H28Cl2N2O2 (CAS: 96401-80-8) is a chemical compound with molecular formula C18H28Cl2N2O2 and molecular weight 375.3 g/mol. Its IUPAC systematic name is 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride. Topological Polar Surface Area 32.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 374.15277 Heavy Atoms 24 Complexity 393.0 InChI Key: OAMAHFVWQCCIQX-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C=C1C)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl.

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