methyl 2-amino-4-(4-cyclohexylphenyl)thiophene-3-carboxylate

methyl 2-amino-4-(4-cyclohexylphenyl)thiophene-3-carboxylate

CAS: 350997-15-8

Formula: C18H21NO2S

SMILES: COC(=O)C1=C(N)SC=C1C1=CC=C(C=C1)C1CCCCC1

IUPAC: methyl 2-amino-4-(4-cyclohexylphenyl)thiophene-3-carboxylate

InChI: InChI=1S/C18H21NO2S/c1-21-18(20)16-15(11-22-17(16)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6,19H2,1H3

Composition: C (68.54%), H (6.71%), N (4.44%), O (10.14%), S (10.16%)

Molar Mass: 315.43

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	315.129300094
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XMKUQQGXRIHGOO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.38
Topological Polar Surface Area	52.32
Polarizability	35.74
Ring Count	3
Rotatable Bond Count	4

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