Chemical ID: 7074046

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)OC)C
Chemical ID:
7074046
Name [?]:
4-[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-N-[(4-methoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C24H28N4O3S2/c1-17-11-18(2)15-28(14-17)33(29,30)22-6-4-5-20(12-22)23-16-32-24(26-23)27-25-13-19-7-9-21(31-3)10-8-19/h4-10,12-13,16-18H,11,14-15H2,1-3H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,33,32,13,14,12,26,30,27,29,3,16,24,7,5,18,2,4,25,15,28,11,17,20,23,21,22,6,9,10,31,19,8/E:(1,2)(7,8)(9,10)(14,15)(17,18)(29,30)/CRV:33.6/rA:33cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCOCC/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;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N4O3S2
All Atoms:61
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:13.5402
Area:722.887
Solvation:-4.53202
Coulombic:-32.5622
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:484.636
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.64
LogP (Chemaxon):5.55

Name Annotations

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Descriptor Annotations

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