Imidodicarbonic acid, 2-[5-bromo-3-[[(4-methylphenyl)sulfonyl]oxy]-2-pyridinyl]-, 1,3-bis(1,1-dimethylethyl) ester

C₂₂H₂₇BrN₂O₇SCAS 1803573-21-8543.43 g/mol

Properties

Molecular formula: C₂₂H₂₇BrN₂O₇S
Molar mass: 543.43 g/mol
Exact mass: 542.0722 Da
logP: 5.60Crippen estimate
Polar surface area: 112.1 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 4

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1803573-21-8

SMILES

Cc1ccc(S(=O)(=O)Oc2cc(Br)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

InChIKey

WUZIAQMQHWDGSB-UHFFFAOYSA-N

InChI

InChI=1S/C22H27BrN2O7S/c1-14-8-10-16(11-9-14)33(28,29)32-17-12-15(23)13-24-18(17)25(19(26)30-21(2,3)4)20(27)31-22(5,6)7/h8-13H,1-7H3

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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