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Chemical ID: 7074183

CCN(CC)c1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CC(OC(C4)C)C

Chemical ID:

7074183

Name [?]:

N-[(4-diethylaminophenyl)methyleneamino]-4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-thiazol-2-amine

SMILES [?]:

CCN(CC)c1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CC(OC(C4)C)C

InChi [?]:

InChI=1/C26H33N5O3S2/c1-5-30(6-2)23-12-10-21(11-13-23)15-27-29-26-28-25(18-35-26)22-8-7-9-24(14-22)36(32,33)31-16-19(3)34-20(4)17-31/h7-15,18-20H,5-6,16-17H2,1-4H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,5,35,36,2,4,22,21,23,8,10,7,11,25,12,34,30,18,33,31,9,20,6,24,17,15,13,16,14,3,29,27,28,32,19,26/E:(1,2)(3,4)(5,6)(10,11)(12,13)(16,17)(19,20)(32,33)/CRV:36.6/rA:36cCCNCCCCCCCCCNNCNCCSCCCCCCSOONCCOCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;d26;d26;s26;s29;s30;s31;s32;s29s33;s33;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₅O₃S₂
All Atoms:	69
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	14.9293
Area:	800.777
Solvation:	-5.09015
Coulombic:	-38.9468

Bond Count [?]

All:	39
Single:	28
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	527.704
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.84
LogP (Chemaxon):	5.71

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