3-chloro-N-[(1S,2S)-2-(3-chloro-6-methoxy-1-benzothiophene-2-amido)cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide

3-chloro-N-[(1S,2S)-2-(3-chloro-6-methoxy-1-benzothiophene-2-amido)cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide

Formula: C26H24Cl2N2O4S2

SMILES: COC1=CC=C2C(Cl)=C(SC2=C1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)C1=C(Cl)C2=CC=C(OC)C=C2S1

IUPAC: 3-chloro-N-[(1S,2S)-2-(3-chloro-6-methoxy-1-benzothiophene-2-amido)cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C26H24Cl2N2O4S2/c1-33-13-7-9-15-19(11-13)35-23(21(15)27)25(31)29-17-5-3-4-6-18(17)30-26(32)24-22(28)16-10-8-14(34-2)12-20(16)36-24/h7-12,17-18H,3-6H2,1-2H3,(H,29,31)(H,30,32)/t17-,18-/m0/s1

Composition: C (55.42%), H (4.29%), Cl (12.58%), N (4.97%), O (11.36%), S (11.38%)

Molar Mass: 563.51

Atom Count: 60

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	562.055455
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QMNAIJBJVNOSJP-ROUUACIJSA-N
Lipinski's Rule of Five
Molar Refractivity	142.96
Topological Polar Surface Area	76.66
Polarizability	57.15
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H24Cl2N2O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00