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tert-butyl N-methyl-N-{4-[(1E)-2-{6-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]pyridin-3-yl}ethenyl]phenyl}carbamate

tert-butyl N-methyl-N-{4-[(1E)-2-{6-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]pyridin-3-yl}ethenyl]phenyl}carbamate

CAS: 1205550-99-7

Formula: C32H40N2O8S

SMILES: CN(C(=O)OC(C)(C)C)C1=CC=C(C=CC2=CN=C(OCCOCCOCCOS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C=C1

IUPAC: tert-butyl N-methyl-N-{4-[(1E)-2-{6-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]pyridin-3-yl}ethenyl]phenyl}carbamate

InChI: InChI=1S/C32H40N2O8S/c1-25-6-15-29(16-7-25)43(36,37)41-23-21-39-19-18-38-20-22-40-30-17-12-27(24-33-30)9-8-26-10-13-28(14-11-26)34(5)31(35)42-32(2,3)4/h6-17,24H,18-23H2,1-5H3/b9-8+

Composition: C (62.73%), H (6.58%), N (4.57%), O (20.89%), S (5.23%)

Molar Mass: 612.74

Atom Count: 83

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 612.25053743
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey MDBUGPWBKWJULZ-CMDGGOBGSA-N
Lipinski's Rule of Five
Molar Refractivity 165.86
Topological Polar Surface Area 113.49
Polarizability 64.71
Ring Count 3
Rotatable Bond Count 17

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95% <5 Days 1205550-99-7 $1,034.00$1,034.00
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