methyl 6-tert-butyl-2-[2-phenyl-2-(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 6-tert-butyl-2-[2-phenyl-2-(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C28H31NO3S2

SMILES: COC(=O)C1=C(NC(=O)C(SC2=CC=CC=C2)C2=CC=CC=C2)SC2=C1CCC(C2)C(C)(C)C

IUPAC: methyl 6-tert-butyl-2-[2-phenyl-2-(phenylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C28H31NO3S2/c1-28(2,3)19-15-16-21-22(17-19)34-26(23(21)27(31)32-4)29-25(30)24(18-11-7-5-8-12-18)33-20-13-9-6-10-14-20/h5-14,19,24H,15-17H2,1-4H3,(H,29,30)

Composition: C (68.12%), H (6.33%), N (2.84%), O (9.72%), S (12.99%)

Molar Mass: 493.68

Atom Count: 65

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	493.17453621
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KKCIZVXMKQOVRG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	141.57
Topological Polar Surface Area	55.4
Polarizability	54.38
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H31NO3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00