2-[2-(3-chlorophenoxy)propanamido]-N-(2-ethoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

2-[2-(3-chlorophenoxy)propanamido]-N-(2-ethoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C27H29ClN2O4S

SMILES: CCOC1=CC=CC=C1NC(=O)C1=C(NC(=O)C(C)OC2=CC=CC(Cl)=C2)SC2=C1CCCCC2

IUPAC: 2-[2-(3-chlorophenoxy)propanamido]-N-(2-ethoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1/C27H29ClN2O4S/c1-3-33-22-14-8-7-13-21(22)29-26(32)24-20-12-5-4-6-15-23(20)35-27(24)30-25(31)17(2)34-19-11-9-10-18(28)16-19/h7-11,13-14,16-17H,3-6,12,15H2,1-2H3,(H,29,32)(H,30,31)

Composition: C (63.21%), H (5.70%), Cl (6.91%), N (5.46%), O (12.47%), S (6.25%)

Molar Mass: 513.05

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	512.1536563
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CDAZPWMJILNPGM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	141.21
Topological Polar Surface Area	76.66
Polarizability	53.17
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00