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Chemical ID: 4236323

Chemical ID:

4236323

Name [?]:

N,N-dimethyl-4,5-diphenyl-imidazole-1-sulfonamide

SMILES [?]:

CN(C)S(=O)(=O)n1cnc(c1c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C17H17N3O2S/c1-19(2)23(21,22)20-13-18-16(14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h3-13H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,21,15,20,22,14,16,19,23,13,17,8,18,12,10,11,9,2,7,5,6,4/E:(1,2)(5,6)(7,8)(9,10)(11,12)(21,22)/CRV:23.6/rA:23nCNCSOONCNCCCCCCCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;s7d10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.8283
Area:	476.737
Solvation:	-2.09013
Coulombic:	-18.5547

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	327.402
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.64
LogP (Chemaxon):	2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value