(Z)-N''-(4-bromobenzenesulfonyl)-N'-(5-chloro-2-methoxyphenyl)-N-(4,6-dimethyl-1H-pyrimidin-2-ylidene)guanidine

(Z)-N''-(4-bromobenzenesulfonyl)-N'-(5-chloro-2-methoxyphenyl)-N-(4,6-dimethyl-1H-pyrimidin-2-ylidene)guanidine

Formula: C20H19BrClN5O3S

SMILES: COC1=CC=C(Cl)C=C1NC(N=C1NC(C)=CC(C)=N1)=NS(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: (Z)-N''-(4-bromobenzenesulfonyl)-N'-(5-chloro-2-methoxyphenyl)-N-(4,6-dimethyl-1,2-dihydropyrimidin-2-ylidene)guanidine

InChI: InChI=1S/C20H19BrClN5O3S/c1-12-10-13(2)24-19(23-12)26-20(25-17-11-15(22)6-9-18(17)30-3)27-31(28,29)16-7-4-14(21)5-8-16/h4-11H,1-3H3,(H2,23,24,25,26,27)

Composition: C (45.77%), H (3.65%), Br (15.23%), Cl (6.75%), N (13.34%), O (9.15%), S (6.11%)

Molar Mass: 524.82

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	523.008051
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	AMSIQVYFDAHLLG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.39
Topological Polar Surface Area	104.51
Polarizability	47.7
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19BrClN5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00