ethyl 5-(3-chloro-1-benzothiophene-2-amido)-2-(morpholin-4-yl)benzoate

ethyl 5-(3-chloro-1-benzothiophene-2-amido)-2-(morpholin-4-yl)benzoate

Formula: C22H21ClN2O4S

SMILES: CCOC(=O)C1=CC(NC(=O)C2=C(Cl)C3=CC=CC=C3S2)=CC=C1N1CCOCC1

IUPAC: ethyl 5-(3-chloro-1-benzothiophene-2-amido)-2-(morpholin-4-yl)benzoate

InChI: InChI=1S/C22H21ClN2O4S/c1-2-29-22(27)16-13-14(7-8-17(16)25-9-11-28-12-10-25)24-21(26)20-19(23)15-5-3-4-6-18(15)30-20/h3-8,13H,2,9-12H2,1H3,(H,24,26)

Composition: C (59.39%), H (4.76%), Cl (7.97%), N (6.30%), O (14.38%), S (7.21%)

Molar Mass: 444.93

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	444.091056
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	TYCDQEBBCYHJPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.8
Topological Polar Surface Area	67.87
Polarizability	45.78
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00