2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12-tetraoxapentadecan-15-oate

2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12-tetraoxapentadecan-15-oate

CAS: 1802907-92-1

Formula: C24H31N5O9

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

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1S/C24H31N5O9/c1-18-25-27-24(28-26-18)19-2-4-20(5-3-19)37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-23(32)38-29-21(30)6-7-22(29)31/h2-5H,6-17H2,1H3

Composition: C (54.03%), H (5.86%), N (13.13%), O (26.99%)

Molar Mass: 533.538

Atom Count: 69

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	533.212177598
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
InChIKey	SWSUSQWZOPGVKP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.44
Topological Polar Surface Area	161.39
Polarizability	51.43
Ring Count	3
Rotatable Bond Count	19

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