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Chemical ID: 7027039

CN(C)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2CCCN4CCOCC4

Chemical ID:

7027039

Name [?]:

N,N-dimethyl-4-[3-(3-morpholinopropyl)-2-phenylimino-thiazol-4-yl]-benzenesulfonamide

SMILES [?]:

CN(C)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2CCCN4CCOCC4

InChi [?]:

InChI=1/C24H30N4O3S2/c1-26(2)33(29,30)22-11-9-20(10-12-22)23-19-32-24(25-21-7-4-3-5-8-21)28(23)14-6-13-27-15-17-31-18-16-27/h3-5,7-12,19H,6,13-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,21,20,22,26,19,23,9,11,8,12,27,25,29,33,30,32,14,10,18,7,13,16,17,2,28,24,5,6,31,15,4/E:(1,2)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18)(29,30)/CRV:33.6/rA:33nCNCSOOCCCCCCCCSCNCCCCCCNCCCNCCOCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;w16;s17;s18;d19;s20;d21;d18s22;s13s16;s24;s25;s26;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₄O₃S₂
All Atoms:	63
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8087
Area:	665.24
Solvation:	-4.82226
Coulombic:	-34.3553

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.652
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.65
LogP (Chemaxon):	3.94

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