3-[3-({N-[(E)-[(2-chlorophenyl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

3-[3-({N-[(E)-[(2-chlorophenyl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

Formula: C19H15ClN4O4S

SMILES: OC(=O)C1=CC(=CC=C1)N1C(=O)CC(SC(=N)NN=CC2=CC=CC=C2Cl)C1=O

IUPAC: 3-[3-({N-[(E)-[(2-chlorophenyl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

InChI: InChI=1/C19H15ClN4O4S/c20-14-7-2-1-4-12(14)10-22-23-19(21)29-15-9-16(25)24(17(15)26)13-6-3-5-11(8-13)18(27)28/h1-8,10,15H,9H2,(H2,21,23)(H,27,28)/b22-10+

Composition: C (52.97%), H (3.51%), Cl (8.23%), N (13.00%), O (14.85%), S (7.44%)

Molar Mass: 430.86

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	430.0502539
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	FFXAMWIZRMZYJO-LSHDLFTRNA-N
Lipinski's Rule of Five	1
Molar Refractivity	130.81
Topological Polar Surface Area	122.92
Polarizability	41.48
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15ClN4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00