N-[2-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

N-[2-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

Formula: C20H19N3O3S2

SMILES: CCC(=O)NC1=CC=C2N=C(SCC(=O)NC3=CC=CC(=C3)C(C)=O)SC2=C1

IUPAC: N-[2-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide

InChI: InChI=1S/C20H19N3O3S2/c1-3-18(25)21-15-7-8-16-17(10-15)28-20(23-16)27-11-19(26)22-14-6-4-5-13(9-14)12(2)24/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)

Composition: C (58.09%), H (4.63%), N (10.16%), O (11.61%), S (15.51%)

Molar Mass: 413.51

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.086783832
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GPIMIKAGMRTNEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.76
Topological Polar Surface Area	88.16
Polarizability	43.63
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00