5-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole

5-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole

CAS: 685106-70-1

Formula: C21H26N4O3

SMILES: COC1=CC(=CC(OC)=C1OC)C1=NC2=CC(=CC=C2N1)N1CCN(C)CC1

IUPAC: 5-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole

InChI: InChI=1S/C21H26N4O3/c1-24-7-9-25(10-8-24)15-5-6-16-17(13-15)23-21(22-16)14-11-18(26-2)20(28-4)19(12-14)27-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,23)

Composition: C (65.95%), H (6.85%), N (14.65%), O (12.55%)

Molar Mass: 382.464

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	382.200490713
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	MDRZBFNKPZFCGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.94
Topological Polar Surface Area	62.85
Polarizability	43.61
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	685106-70-1		$51.35-$86.31$51.35$63.37$86.31