Chemical ID: 7027128

CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3csc(n3)NN=Cc4ccc(cc4)C(C)C
Chemical ID:
7027128
Name [?]:
N-[(4-isopropylphenyl)methyleneamino]-4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3csc(n3)NN=Cc4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C25H30N4O2S2/c1-18(2)21-6-4-20(5-7-21)16-26-28-25-27-24(17-32-25)22-8-10-23(11-9-22)33(30,31)29-14-12-19(3)13-15-29/h4-11,16-19H,12-15H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:32,33,1,26,30,27,29,13,15,12,16,3,7,4,6,24,18,31,2,25,28,14,11,17,20,23,21,22,5,9,10,19,8/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(30,31)/CRV:33.6/rA:33nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N4O2S2
All Atoms:63
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:15.1303
Area:744.638
Solvation:-3.48569
Coulombic:-26.1744
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:482.663
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.04
LogP (Chemaxon):6.52

Name Annotations

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Descriptor Annotations

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