1-[2-(2-chlorophenoxy)acetyl]-3-[4-(pyrrolidine-1-sulfonyl)phenyl]thiourea

1-[2-(2-chlorophenoxy)acetyl]-3-[4-(pyrrolidine-1-sulfonyl)phenyl]thiourea

Formula: C19H20ClN3O4S2

SMILES: ClC1=CC=CC=C1OCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N1CCCC1

IUPAC: 1-[2-(2-chlorophenoxy)acetyl]-3-[4-(pyrrolidine-1-sulfonyl)phenyl]thiourea

InChI: InChI=1S/C19H20ClN3O4S2/c20-16-5-1-2-6-17(16)27-13-18(24)22-19(28)21-14-7-9-15(10-8-14)29(25,26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2,(H2,21,22,24,28)

Composition: C (50.27%), H (4.44%), Cl (7.81%), N (9.26%), O (14.10%), S (14.12%)

Molar Mass: 453.96

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	453.0583762
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZQCSWQHPJZBWQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.41
Topological Polar Surface Area	87.74
Polarizability	45.74
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20ClN3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00