SCHEMBL153762

6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one

CAS: 1628584-98-4

Molecular Formula	`C23H21ClN6O3`
Molecular Weight	464.9 g/mol
LogP	2.9
Topological Polar Surface Area	97.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	464.13635
Heavy Atoms	33
Complexity	891.0

Chemical Identifiers

CAS Number	1628584-98-4
SMILES	`CN1CCN(CC1)C=C2C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl`
InChIKey	`UTEFBSAVJNEPTR-UHFFFAOYSA-N`

📖 Product Overview

SCHEMBL153762 (CAS: 1628584-98-4) is a chemical compound with molecular formula C23H21ClN6O3 and molecular weight 464.9 g/mol. Its IUPAC systematic name is 6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one. LogP 2.9 Topological Polar Surface Area 97.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 2 Exact Mass 464.13635 Heavy Atoms 33 Complexity 891.0 InChI Key: UTEFBSAVJNEPTR-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C=C2C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl.

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