5-{[4-(4-methylpiperazin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

5-{[4-(4-methylpiperazin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

CAS: 860649-11-2

Formula: C15H18N4OS

SMILES: CN1CCN(CC1)C1=CC=C(C=C2NC(=S)NC2=O)C=C1

IUPAC: 5-{[4-(4-methylpiperazin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1S/C15H18N4OS/c1-18-6-8-19(9-7-18)12-4-2-11(3-5-12)10-13-14(20)17-15(21)16-13/h2-5,10H,6-9H2,1H3,(H2,16,17,20,21)

Composition: C (59.58%), H (6.00%), N (18.53%), O (5.29%), S (10.60%)

Molar Mass: 302.4

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.12013239
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ORMOWGZHDHMYSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.2
Topological Polar Surface Area	47.61
Polarizability	33.67
Ring Count	3
Rotatable Bond Count	2

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90%	<2 Days	860649-11-2		$51.35-$86.31$51.35$63.37$86.31