methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-3,4-dihydropyrimidine-5-carboxylate

methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-3,4-dihydropyrimidine-5-carboxylate

CAS: 298708-79-9

Formula: C18H13ClF3N3O2

SMILES: COC(=O)C1=C(C)N=C(NC1C1=CC=C(F)C=C1Cl)C1=NC=C(F)C=C1F

IUPAC: methyl 6-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-4-methyl-1,6-dihydropyrimidine-5-carboxylate

InChI: InChI=1/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)

Composition: C (54.63%), H (3.31%), Cl (8.96%), F (14.40%), N (10.62%), O (8.09%)

Molar Mass: 395.77

Atom Count: 40

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	395.0648389
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FVNJBPMQWSIGJK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.66
Topological Polar Surface Area	63.58
Polarizability	34.71
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97.82%	<7 Days	298708-79-9		$30.86-$561.00$30.86$65.45$112.20$355.30$561.00