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Chemical ID: 7074048

CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)OC

Chemical ID:

7074048

Name [?]:

N-[(4-methoxyphenyl)methyleneamino]-4-[3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine

SMILES [?]:

CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)OC

InChi [?]:

InChI=1/C23H26N4O3S2/c1-17-5-4-12-27(15-17)32(28,29)21-7-3-6-19(13-21)22-16-31-23(25-22)26-24-14-18-8-10-20(30-2)11-9-18/h3,6-11,13-14,16-17H,4-5,12,15H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,32,13,4,3,14,12,26,30,27,29,5,16,24,7,18,2,25,15,28,11,17,20,23,21,22,6,9,10,31,19,8/E:(8,9)(10,11)(28,29)/CRV:32.6/rA:32cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCOC/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;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₃S₂
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	13.0804
Area:	705.242
Solvation:	-4.5507
Coulombic:	-32.1436

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	470.61
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.34
LogP (Chemaxon):	5.15

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value