N-{3-carbamoyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3-chloro-6-methyl-1-benzothiophene-2-carboxamide

N-{3-carbamoyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3-chloro-6-methyl-1-benzothiophene-2-carboxamide

Formula: C20H19ClN2O2S2

SMILES: CC1=CC=C2C(Cl)=C(SC2=C1)C(=O)NC1=C(C(N)=O)C2=C(CCCCC2)S1

IUPAC: N-{3-carbamoyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3-chloro-6-methyl-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C20H19ClN2O2S2/c1-10-7-8-12-14(9-10)26-17(16(12)21)19(25)23-20-15(18(22)24)11-5-3-2-4-6-13(11)27-20/h7-9H,2-6H2,1H3,(H2,22,24)(H,23,25)

Composition: C (57.34%), H (4.57%), Cl (8.46%), N (6.69%), O (7.64%), S (15.30%)

Molar Mass: 418.95

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	418.0576479
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SGIKBVOTYGBTGB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.93
Topological Polar Surface Area	72.19
Polarizability	42.63
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19ClN2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00