2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

Formula: C29H31N3O4S

SMILES: COC1=CC=C(CCN2C(CC(=O)NC3=CC=CC=C3)C(=O)N(CCC3=CC=CC=C3)C2=S)C=C1OC

IUPAC: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

InChI: InChI=1/C29H31N3O4S/c1-35-25-14-13-22(19-26(25)36-2)16-17-31-24(20-27(33)30-23-11-7-4-8-12-23)28(34)32(29(31)37)18-15-21-9-5-3-6-10-21/h3-14,19,24H,15-18,20H2,1-2H3,(H,30,33)

Composition: C (67.29%), H (6.04%), N (8.12%), O (12.36%), S (6.19%)

Molar Mass: 517.64

Atom Count: 68

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	517.203527664
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DNXSIXAXZUNVSM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	149.3
Topological Polar Surface Area	71.11
Polarizability	57.38
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H31N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00