2,5-dioxopyrrolidin-1-yl 3-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]propanoate

2,5-dioxopyrrolidin-1-yl 3-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]propanoate

CAS: 2055646-22-3

Formula: C22H27N5O8

SMILES: CC1=NN=C(N=N1)C1=CC=C(OCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)C=C1

IUPAC: 2,5-dioxopyrrolidin-1-yl 3-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]propanoate

InChI: InChI=1S/C22H27N5O8/c1-16-23-25-22(26-24-16)17-2-4-18(5-3-17)34-15-14-33-13-12-32-11-10-31-9-8-21(30)35-27-19(28)6-7-20(27)29/h2-5H,6-15H2,1H3

Composition: C (53.98%), H (5.56%), N (14.31%), O (26.15%)

Molar Mass: 489.485

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	489.185962849
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
InChIKey	CYLFEFAGRGLQHN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.39
Topological Polar Surface Area	152.16
Polarizability	47.04
Ring Count	3
Rotatable Bond Count	16

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