2-chloro-5-(5-{[(5E)-4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

2-chloro-5-(5-{[(5E)-4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C19H13ClN2O5S

SMILES: OC(=O)C1=CC(=CC=C1Cl)C1=CC=C(O1)C=C1/C(=O)NC(=S)N(CC=C)C1=O

IUPAC: 2-chloro-5-(5-{[(5E)-4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C19H13ClN2O5S/c1-2-7-22-17(24)13(16(23)21-19(22)28)9-11-4-6-15(27-11)10-3-5-14(20)12(8-10)18(25)26/h2-6,8-9H,1,7H2,(H,25,26)(H,21,23,28)/b13-9+

Composition: C (54.75%), H (3.14%), Cl (8.50%), N (6.72%), O (19.19%), S (7.69%)

Molar Mass: 416.83

Atom Count: 41

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	416.0233704
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OTUIDYRFQNZEGZ-UKTHLTGXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.64
Topological Polar Surface Area	99.85
Polarizability	41.77
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H13ClN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00