3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

Formula: C22H26N2O5S

SMILES: CCOC1=CC=CC=C1NC(=O)C1=C(NC(=O)CCC(O)=O)SC2=C1CCCCC2

IUPAC: 3-({3-[(2-ethoxyphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid

InChI: InChI=1S/C22H26N2O5S/c1-2-29-16-10-7-6-9-15(16)23-21(28)20-14-8-4-3-5-11-17(14)30-22(20)24-18(25)12-13-19(26)27/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,27)

Composition: C (61.38%), H (6.09%), N (6.51%), O (18.58%), S (7.45%)

Molar Mass: 430.52

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	430.156243119
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	BYUNIXCXMTZCHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.85
Topological Polar Surface Area	104.73
Polarizability	43.43
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00