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Chemical ID: 7026914

CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2Cc4cccnc4

Chemical ID:

7026914

Name [?]:

N,N-diethyl-4-[2-phenylimino-3-(3-pyridylmethyl)thiazol-4-yl]-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2Cc4cccnc4

InChi [?]:

InChI=1/C25H26N4O2S2/c1-3-28(4-2)33(30,31)23-14-12-21(13-15-23)24-19-32-25(27-22-10-6-5-7-11-22)29(24)18-20-9-8-16-26-17-20/h5-17,19H,3-4,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,23,22,24,30,29,21,25,11,13,10,14,31,33,27,16,28,12,20,9,15,18,32,19,3,26,7,8,17,6/E:(1,2)(3,4)(6,7)(10,11)(12,13)(14,15)(30,31)/CRV:33.6/rA:33nCCNCCSOOCCCCCCCCSCNCCCCCCNCCCCCNC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;w18;s19;s20;d21;s22;d23;d20s24;s15s18;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₄O₂S₂
All Atoms:	59
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6017
Area:	654.371
Solvation:	-3.75762
Coulombic:	-26.9857

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	478.632
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.14
LogP (Chemaxon):	5.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value