4-[(2E)-2-[(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methylidene]hydrazin-1-yl]-2,6-bis(pyrrolidin-1-yl)pyrimidine

4-[(2E)-2-[(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methylidene]hydrazin-1-yl]-2,6-bis(pyrrolidin-1-yl)pyrimidine

Formula: C27H31ClN6OS

SMILES: ClC1=CC=C(SCCOC2=CC=CC=C2C=NNC2=CC(=NC(=N2)N2CCCC2)N2CCCC2)C=C1

IUPAC: 4-[(2E)-2-[(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methylidene]hydrazin-1-yl]-2,6-bis(pyrrolidin-1-yl)pyrimidine

InChI: InChI=1S/C27H31ClN6OS/c28-22-9-11-23(12-10-22)36-18-17-35-24-8-2-1-7-21(24)20-29-32-25-19-26(33-13-3-4-14-33)31-27(30-25)34-15-5-6-16-34/h1-2,7-12,19-20H,3-6,13-18H2,(H,30,31,32)/b29-20+

Composition: C (62.00%), H (5.97%), Cl (6.78%), N (16.07%), O (3.06%), S (6.13%)

Molar Mass: 523.1

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	522.1968585
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	HCFZBGZYHPIHPE-ZTKZIYFRSA-N
Lipinski's Rule of Five
Molar Refractivity	153.88
Topological Polar Surface Area	65.88
Polarizability	56.23
Ring Count	5
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H31ClN6OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00