ethyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate

ethyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate

CAS: 350990-13-5

Formula: C18H23NO2S

SMILES: CCCCC1=CC=C(C=C1)C1=C(C)SC(N)=C1C(=O)OCC

IUPAC: ethyl 2-amino-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C18H23NO2S/c1-4-6-7-13-8-10-14(11-9-13)15-12(3)22-17(19)16(15)18(20)21-5-2/h8-11H,4-7,19H2,1-3H3

Composition: C (68.11%), H (7.30%), N (4.41%), O (10.08%), S (10.10%)

Molar Mass: 317.45

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	317.144950159
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WSJQPBAXQDSRKH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.83
Topological Polar Surface Area	52.32
Polarizability	36.39
Ring Count	2
Rotatable Bond Count	7

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