3-(2-methoxy-4-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

3-(2-methoxy-4-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C27H22N2O6S

SMILES: COC1=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(C)C=C2)=CC=C1OCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-[(2-methoxy-4-{[(5Z)-1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C27H22N2O6S/c1-16-6-9-20(10-7-16)29-25(31)21(24(30)28-27(29)36)13-17-8-11-22(23(14-17)34-2)35-15-18-4-3-5-19(12-18)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,36)/b21-13-

Composition: C (64.53%), H (4.41%), N (5.57%), O (19.10%), S (6.38%)

Molar Mass: 502.54

Atom Count: 58

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	502.11985761
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	RLTVVSHFSXGQJJ-BKUYFWCQSA-N
Lipinski's Rule of Five
Molar Refractivity	138.62
Topological Polar Surface Area	105.17
Polarizability	52.72
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00