2-{[(4-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine

2-{[(4-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine

CAS: 478246-80-9

Formula: C19H15FN2S2

SMILES: CC1=CC2=C(SCC3=CN=C(SCC4=CC=C(F)C=C4)N=C23)C=C1

IUPAC: 2-{[(4-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine

InChI: InChI=1S/C19H15FN2S2/c1-12-2-7-17-16(8-12)18-14(11-23-17)9-21-19(22-18)24-10-13-3-5-15(20)6-4-13/h2-9H,10-11H2,1H3

Composition: C (64.38%), H (4.27%), F (5.36%), N (7.90%), S (18.09%)

Molar Mass: 354.46

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	354.066069002
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XRFIZHDYFULEDK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.47
Topological Polar Surface Area	25.78
Polarizability	39.58
Ring Count	4
Rotatable Bond Count	3

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