methyl 4-(5-{[(5E)-1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoate

methyl 4-(5-{[(5E)-1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoate

Formula: C26H22N2O5S

SMILES: COC(=O)C1=CC=C(C2=CC=C(O2)C=C2/C(=O)NC(=S)N(C2=O)C2=CC(C)=CC(C)=C2)C(C)=C1

IUPAC: methyl 4-(5-{[(5E)-1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)-3-methylbenzoate

InChI: InChI=1S/C26H22N2O5S/c1-14-9-15(2)11-18(10-14)28-24(30)21(23(29)27-26(28)34)13-19-6-8-22(33-19)20-7-5-17(12-16(20)3)25(31)32-4/h5-13H,1-4H3,(H,27,29,34)/b21-13+

Composition: C (65.81%), H (4.67%), N (5.90%), O (16.86%), S (6.76%)

Molar Mass: 474.53

Atom Count: 56

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	474.12494299
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IWNIHMIPYZJVBX-FYJGNVAPSA-N
Lipinski's Rule of Five
Molar Refractivity	133.34
Topological Polar Surface Area	88.85
Polarizability	51.54
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H22N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00