tert-butyl 2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

tert-butyl 2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

CAS: 1325307-18-3

Formula: C19H25N3O3

SMILES: CC1=CC=CC(=C1)C1=NC2(CCN(CC2)C(=O)OC(C)(C)C)NC1=O

IUPAC: tert-butyl 2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

InChI: InChI=1S/C19H25N3O3/c1-13-6-5-7-14(12-13)15-16(23)21-19(20-15)8-10-22(11-9-19)17(24)25-18(2,3)4/h5-7,12H,8-11H2,1-4H3,(H,21,23)

Composition: C (66.45%), H (7.34%), N (12.24%), O (13.98%)

Molar Mass: 343.427

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	343.189591677
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PGNBHEKAZYVKPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.5
Topological Polar Surface Area	71
Polarizability	36.57
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	1325307-18-3		$51.35-$86.31$51.35$63.37$86.31