3-cyclohexyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-diazinane-2,4-dione

3-cyclohexyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-diazinane-2,4-dione

CAS: 1883548-87-5

Formula: C21H27F3N4O2

SMILES: FC(F)(F)C1=CC(=CC=C1)N1CCN(CC1)C1CC(=O)N(C2CCCCC2)C(=O)N1

IUPAC: 3-cyclohexyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-diazinane-2,4-dione

InChI: InChI=1/C21H27F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13,16,18H,1-3,6-7,9-12,14H2,(H,25,30)

Composition: C (59.42%), H (6.41%), F (13.43%), N (13.20%), O (7.54%)

Molar Mass: 424.468

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	424.208610614
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KTWKLBPBUXCXRG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.94
Topological Polar Surface Area	55.89
Polarizability	40.11
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1883548-87-5		$108.54-$709.36$108.54$173.52$312.64$468.58$709.36