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Chemical ID: 7074227
Chemical ID:
7074227
Name [?]:
N-[(2,3-dimethoxyphenyl)methyleneamino]-4-[3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC
InChi [?]:
InChI=1/C24H28N4O4S2/c1-17-7-6-12-28(15-17)34(29,30)20-10-4-8-18(13-20)21-16-33-24(26-21)27-25-14-19-9-5-11-22(31-2)23(19)32-3/h4-5,8-11,13-14,16-17H,6-7,12,15H2,1-3H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,34,32,13,27,4,3,14,26,12,28,5,16,24,7,18,2,15,25,11,17,29,30,20,23,21,22,6,9,10,33,31,19,8/E:(29,30)/CRV:34.6/rA:34cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCOCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N4O4S2 |
All Atoms: | 62 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3866 |
Area: | 723.923 |
Solvation: | -6.71147 |
Coulombic: | -38.1096 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 500.636 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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