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tert-butyl N-{8-[(4-methylbenzenesulfonyl)oxy]octyl}carbamate

tert-butyl N-{8-[(4-methylbenzenesulfonyl)oxy]octyl}carbamate

CAS: 1472656-81-7

Formula: C20H33NO5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{8-[(4-methylbenzenesulfonyl)oxy]octyl}carbamate

InChI: InChI=1S/C20H33NO5S/c1-17-11-13-18(14-12-17)27(23,24)25-16-10-8-6-5-7-9-15-21-19(22)26-20(2,3)4/h11-14H,5-10,15-16H2,1-4H3,(H,21,22)

Composition: C (60.12%), H (8.33%), N (3.51%), O (20.02%), S (8.02%)

Molar Mass: 399.55

Atom Count: 60

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 399.207944341
Formal Charge 0
FSP3 0.65
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZPZRUNAYGFZRQS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 106.94
Topological Polar Surface Area 81.7
Polarizability 42.77
Ring Count 1
Rotatable Bond Count 13

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