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Chemical ID: 7074224

CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC

Chemical ID:

7074224

Name [?]:

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

SMILES [?]:

CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC

InChi [?]:

InChI=1/C24H28N4O5S2/c1-16-13-28(14-17(2)33-16)35(29,30)20-9-5-7-18(11-20)21-15-34-24(26-21)27-25-12-19-8-6-10-22(31-3)23(19)32-4/h5-12,15-17H,13-14H2,1-4H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,8,35,33,14,28,15,27,13,29,17,25,3,5,19,2,6,16,26,12,18,30,31,21,24,22,23,4,10,11,34,32,7,20,9/E:(1,2)(13,14)(16,17)(29,30)/CRV:35.6/rA:35cCCCNCCOCSOOCCCCCCCCSCNNNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s19;s20;s18d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s31;s32;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₄O₅S₂
All Atoms:	63
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	10.8646
Area:	744.597
Solvation:	-7.7503
Coulombic:	-45.8916

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	516.635
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.35
LogP (Chemaxon):	4.25

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value