2-(9H-purin-6-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

2-(9H-purin-6-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

Formula: C16H13N7O3S3

SMILES: O=C(CSC1=C2N=CNC2=NC=N1)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1

IUPAC: 2-(9H-purin-6-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

InChI: InChI=1S/C16H13N7O3S3/c24-12(7-28-15-13-14(19-8-18-13)20-9-21-15)22-10-1-3-11(4-2-10)29(25,26)23-16-17-5-6-27-16/h1-6,8-9H,7H2,(H,17,23)(H,22,24)(H,18,19,20,21)

Composition: C (42.94%), H (2.93%), N (21.91%), O (10.73%), S (21.49%)

Molar Mass: 447.51

Atom Count: 42

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	447.024200829
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	DGWVZRYSDBBUQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.68
Topological Polar Surface Area	142.62
Polarizability	42.52
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13N7O3S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00