ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

CAS: 58194-26-6

Formula: C20H26N2O8S

SMILES: CCOC(=O)CN(CC(=O)OCC)C1=C(C#N)C(CC(=O)OCC)=C(S1)C(=O)OCC

IUPAC: ethyl 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

InChI: InChI=1S/C20H26N2O8S/c1-5-27-15(23)9-13-14(10-21)19(31-18(13)20(26)30-8-4)22(11-16(24)28-6-2)12-17(25)29-7-3/h5-9,11-12H2,1-4H3

Composition: C (52.85%), H (5.77%), N (6.16%), O (28.16%), S (7.05%)

Molar Mass: 454.49

Atom Count: 57

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	454.140986979
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	UJPLQWOIPCSWCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.06
Topological Polar Surface Area	132.23
Polarizability	42.87
Ring Count	1
Rotatable Bond Count	16

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98%	<5 Days	58194-26-6		$600.00-$1,480.00$600.00$1,480.00