4-(benzylsulfanyl)-2-methyl-N1-phenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarboxamide

4-(benzylsulfanyl)-2-methyl-N1-phenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarboxamide

Formula: C26H29N3O2S

SMILES: CC1=C(C(=O)NC2=CC=CC=C2)C2(CCCCC2)C(C(N)=O)=C(N1)SCC1=CC=CC=C1

IUPAC: 4-(benzylsulfanyl)-2-methyl-N1-phenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarboxamide

InChI: InChI=1S/C26H29N3O2S/c1-18-21(24(31)29-20-13-7-3-8-14-20)26(15-9-4-10-16-26)22(23(27)30)25(28-18)32-17-19-11-5-2-6-12-19/h2-3,5-8,11-14,28H,4,9-10,15-17H2,1H3,(H2,27,30)(H,29,31)

Composition: C (69.77%), H (6.53%), N (9.39%), O (7.15%), S (7.16%)

Molar Mass: 447.6

Atom Count: 61

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	447.19804836
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	OPOQEKINQIIRGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	142.68
Topological Polar Surface Area	84.22
Polarizability	50.39
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H29N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00