1-azido-3,6,9,15,18,21,24-heptaoxa-12-thiaheptacos-26-yne

1-azido-3,6,9,15,18,21,24-heptaoxa-12-thiaheptacos-26-yne

CAS: 2055041-24-0

Formula: C19H35N3O7S

SMILES: [N-]=[N+]=NCCOCCOCCOCCSCCOCCOCCOCCOCC#C

IUPAC: 1-azido-3,6,9,15,18,21,24-heptaoxa-12-thiaheptacos-26-yne

InChI: InChI=1S/C19H35N3O7S/c1-2-4-23-6-8-25-10-11-27-13-15-29-17-19-30-18-16-28-14-12-26-9-7-24-5-3-21-22-20/h1H,3-19H2

Composition: C (50.76%), H (7.85%), N (9.35%), O (24.91%), S (7.13%)

Molar Mass: 449.56

Atom Count: 65

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	449.219571653
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
InChIKey	WWUGRHVDODLKCE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.77
Topological Polar Surface Area	94.04
Polarizability	44.93
Ring Count	0
Rotatable Bond Count	25

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