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Chemical ID: 7074225

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC)C

Chemical ID:

7074225

Name [?]:

N-[(2,3-dimethoxyphenyl)methyleneamino]-4-[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine

SMILES [?]:

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC)C

InChi [?]:

InChI=1/C25H30N4O4S2/c1-17-11-18(2)15-29(14-17)35(30,31)21-9-5-7-19(12-21)22-16-34-25(27-22)28-26-13-20-8-6-10-23(32-3)24(20)33-4/h5-10,12-13,16-18H,11,14-15H2,1-4H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,35,34,32,13,27,14,26,12,28,3,16,24,7,5,18,2,4,15,25,11,17,29,30,20,23,21,22,6,9,10,33,31,19,8/E:(1,2)(14,15)(17,18)(30,31)/CRV:35.6/rA:35cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s31;s29;s33;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀N₄O₄S₂
All Atoms:	65
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	11.9016
Area:	742.73
Solvation:	-6.66668
Coulombic:	-38.5317

Bond Count [?]

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

Chemical Properties

Molecular Weight:	514.662
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.28
LogP (Chemaxon):	5.3

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