2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

CAS: 478040-65-2

Formula: C23H27N3O4S

SMILES: COC1=CC=C(CNC(=O)C(CC2=CNC3=CC=CC=C23)N2CCS(=O)(=O)CC2)C=C1

IUPAC: 2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

InChI: InChI=1/C23H27N3O4S/c1-30-19-8-6-17(7-9-19)15-25-23(27)22(26-10-12-31(28,29)13-11-26)14-18-16-24-21-5-3-2-4-20(18)21/h2-9,16,22,24H,10-15H2,1H3,(H,25,27)

Composition: C (62.56%), H (6.16%), N (9.52%), O (14.49%), S (7.26%)

Molar Mass: 441.55

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	441.172227535
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PABBRNAWFLFQBD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.67
Topological Polar Surface Area	91.5
Polarizability	48.55
Ring Count	4
Rotatable Bond Count	7

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478040-65-2		$51.35-$86.31$51.35$63.37$86.31