3-(1,2-dihydroacenaphthylen-5-yl)-1-(3,4,5-triethoxybenzoyl)thiourea

3-(1,2-dihydroacenaphthylen-5-yl)-1-(3,4,5-triethoxybenzoyl)thiourea

Formula: C26H28N2O4S

SMILES: CCOC1=CC(=CC(OCC)=C1OCC)C(=O)NC(=S)NC1=CC=C2CCC3=C2C1=CC=C3

IUPAC: 3-(1,2-dihydroacenaphthylen-5-yl)-1-(3,4,5-triethoxybenzoyl)thiourea

InChI: InChI=1S/C26H28N2O4S/c1-4-30-21-14-18(15-22(31-5-2)24(21)32-6-3)25(29)28-26(33)27-20-13-12-17-11-10-16-8-7-9-19(20)23(16)17/h7-9,12-15H,4-6,10-11H2,1-3H3,(H2,27,28,29,33)

Composition: C (67.22%), H (6.08%), N (6.03%), O (13.78%), S (6.90%)

Molar Mass: 464.58

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	464.176978564
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OIPGGHALRZIQBJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.19
Topological Polar Surface Area	68.82
Polarizability	52.56
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H28N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00