4-(4-bromophenyl)-2-phenyl-1??-thiomorpholine-1,3,5-trione

4-(4-bromophenyl)-2-phenyl-1??-thiomorpholine-1,3,5-trione

CAS: 339109-31-8

Formula: C16H12BrNO3S

SMILES: BrC1=CC=C(C=C1)N1C(=O)CS(=O)C(C1=O)C1=CC=CC=C1

IUPAC: 4-(4-bromophenyl)-2-phenyl-1??-thiomorpholine-1,3,5-trione

InChI: InChI=1/C16H12BrNO3S/c17-12-6-8-13(9-7-12)18-14(19)10-22(21)15(16(18)20)11-4-2-1-3-5-11/h1-9,15H,10H2

Composition: C (50.81%), H (3.20%), Br (21.13%), N (3.70%), O (12.69%), S (8.48%)

Molar Mass: 378.24

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	376.972127
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OPYZBTONNAVBLW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.13
Topological Polar Surface Area	54.45
Polarizability	34.25
Ring Count	3
Rotatable Bond Count	2

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