2-(1,1-dioxo-1??-thiomorpholin-4-yl)-2-phenylethyl 3,4-dichlorobenzoate

2-(1,1-dioxo-1??-thiomorpholin-4-yl)-2-phenylethyl 3,4-dichlorobenzoate

CAS: 338962-92-8

Formula: C19H19Cl2NO4S

SMILES: ClC1=C(Cl)C=C(C=C1)C(=O)OCC(N1CCS(=O)(=O)CC1)C1=CC=CC=C1

IUPAC: 2-(1,1-dioxo-1??-thiomorpholin-4-yl)-2-phenylethyl 3,4-dichlorobenzoate

InChI: InChI=1/C19H19Cl2NO4S/c20-16-7-6-15(12-17(16)21)19(23)26-13-18(14-4-2-1-3-5-14)22-8-10-27(24,25)11-9-22/h1-7,12,18H,8-11,13H2

Composition: C (53.28%), H (4.47%), Cl (16.55%), N (3.27%), O (14.94%), S (7.48%)

Molar Mass: 428.32

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	427.0411847
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OGCSCZQMCGGDLI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.6
Topological Polar Surface Area	63.68
Polarizability	42.35
Ring Count	3
Rotatable Bond Count	6

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