ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylate

ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylate

CAS: 477854-62-9

Formula: C20H18N2O3S

SMILES: CCOC(=O)C1=CN=C(N=C1SC1=CC=C(OC)C=C1)C1=CC=CC=C1

IUPAC: ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylate

InChI: InChI=1S/C20H18N2O3S/c1-3-25-20(23)17-13-21-18(14-7-5-4-6-8-14)22-19(17)26-16-11-9-15(24-2)10-12-16/h4-13H,3H2,1-2H3

Composition: C (65.56%), H (4.95%), N (7.65%), O (13.10%), S (8.75%)

Molar Mass: 366.44

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	366.103813622
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WMWULMSXEDRFBI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	114.37
Topological Polar Surface Area	61.31
Polarizability	40.24
Ring Count	3
Rotatable Bond Count	7

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