Compound C28H35N3O7S

1,3-bis(phenylcarbamoyloxy)propan-2-yl-diethylazanium;4-methylbenzenesulfonate

CAS: 27467-08-9

Molecular Formula	`C28H35N3O7S`
Molecular Weight	557.7 g/mol
Topological Polar Surface Area	147.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	557.21954
Heavy Atoms	39
Complexity	616.0

Chemical Identifiers

CAS Number	27467-08-9
SMILES	`CC[NH+](CC)C(COC(=O)NC1=CC=CC=C1)COC(=O)NC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]`
InChIKey	`HHOYPVOUYAPXAY-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H35N3O7S (CAS: 27467-08-9) is a chemical compound with molecular formula C28H35N3O7S and molecular weight 557.7 g/mol. Its IUPAC systematic name is 1,3-bis(phenylcarbamoyloxy)propan-2-yl-diethylazanium;4-methylbenzenesulfonate. Topological Polar Surface Area 147.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 11 Exact Mass 557.21954 Heavy Atoms 39 Complexity 616.0 InChI Key: HHOYPVOUYAPXAY-UHFFFAOYSA-N. SMILES: CC[NH+](CC)C(COC(=O)NC1=CC=CC=C1)COC(=O)NC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-].

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