4-benzyl 1-tert-butyl 2-methyl 1,4-diazepane-1,2,4-tricarboxylate

4-benzyl 1-tert-butyl 2-methyl 1,4-diazepane-1,2,4-tricarboxylate

Formula: C20H28N2O6

SMILES: COC(=O)C1CN(CCCN1C(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

IUPAC: 4-benzyl 1-tert-butyl 2-methyl 1,4-diazepane-1,2,4-tricarboxylate

InChI: InChI=1/C20H28N2O6/c1-20(2,3)28-19(25)22-12-8-11-21(13-16(22)17(23)26-4)18(24)27-14-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3

Composition: C (61.21%), H (7.19%), N (7.14%), O (24.46%)

Molar Mass: 392.452

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	392.19473663
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MVWWQQBCDUUNCA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.71
Topological Polar Surface Area	85.38
Polarizability	40.01
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H28N2O6		Quote Only