4-amino-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylic acid

4-amino-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylic acid

Formula: C14H11F3N4O3S

SMILES: NC1=NC(SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)=NC=C1C(O)=O

IUPAC: 4-amino-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidine-5-carboxylic acid

InChI: InChI=1S/C14H11F3N4O3S/c15-14(16,17)7-2-1-3-8(4-7)20-10(22)6-25-13-19-5-9(12(23)24)11(18)21-13/h1-5H,6H2,(H,20,22)(H,23,24)(H2,18,19,21)

Composition: C (45.16%), H (2.98%), F (15.31%), N (15.05%), O (12.89%), S (8.61%)

Molar Mass: 372.32

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	372.050395893
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	HOXBISWVJMKQDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.18
Topological Polar Surface Area	118.2
Polarizability	30.94
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11F3N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00