1-[3,5-dimethyl-4-(2-{4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-ylsulfonyl}ethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[3,5-dimethyl-4-(2-{4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-ylsulfonyl}ethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

CAS: 1613373-33-3

Formula: C29H32F3N5O6S

SMILES: CC1=CC(=CC(C)=C1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)C1=CC=C(OC(F)(F)F)C=C1)N1C(=O)NC(=O)C1(C)C

IUPAC: 1-{3,5-dimethyl-4-[2-({4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl}sulfonyl)ethyl]phenyl}-5,5-dimethylimidazolidine-2,4-dione

InChI: InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)

Composition: C (54.80%), H (5.07%), F (8.97%), N (11.02%), O (15.10%), S (5.04%)

Molar Mass: 635.66

Atom Count: 76

Heavy Atom Count: 44

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	635.202539433
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	LDZJFVOUPUFOHX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	149.97
Topological Polar Surface Area	137.48
Polarizability	58.65
Ring Count	5
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.54%	<7 Days	1613373-33-3		$280.50-$2,057.00$280.50$448.80$897.60$1,383.80$2,057.00

Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1613373-33-3		$237.73-$1,514.28$237.73$371.50$667.32$1,111.44$1,514.28