8-benzyl 1,3-di-tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate

8-benzyl 1,3-di-tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate

CAS: 1005187-65-4

Formula: C25H33N3O8

SMILES: CC(C)(C)OC(=O)N1C(=O)N(C(=O)OC(C)(C)C)C2(CCN(CC2)C(=O)OCC2=CC=CC=C2)C1=O

IUPAC: 8-benzyl 1,3-di-tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate

InChI: InChI=1S/C25H33N3O8/c1-23(2,3)35-21(32)27-18(29)25(28(19(27)30)22(33)36-24(4,5)6)12-14-26(15-13-25)20(31)34-16-17-10-8-7-9-11-17/h7-11H,12-16H2,1-6H3

Composition: C (59.63%), H (6.61%), N (8.34%), O (25.42%)

Molar Mass: 503.552

Atom Count: 69

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	503.226765035
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	JIXATOZUDBFTFI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.03
Topological Polar Surface Area	122.76
Polarizability	49.85
Ring Count	3
Rotatable Bond Count	7

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