Chemical ID: 7074150

CCCN(CCC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3ccc(c(c3)OC)OC
Chemical ID:
7074150
Name [?]:
3-[2-[(3,4-dimethoxyphenyl)methyleneaminoamino]thiazol-4-yl]-N,N-dipropyl-benzenesulfonamide
SMILES [?]:
CCCN(CCC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H30N4O4S2/c1-5-12-28(13-6-2)34(29,30)20-9-7-8-19(15-20)21-17-33-24(26-21)27-25-16-18-10-11-22(31-3)23(14-18)32-4/h7-11,14-17H,5-6,12-13H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,7,34,32,2,6,13,14,12,26,27,3,5,30,16,24,18,25,15,11,17,28,29,20,23,21,22,4,9,10,33,31,19,8/E:(1,2)(5,6)(12,13)(29,30)/CRV:34.6/rA:34nCCCNCCCSOOCCCCCCCCSCNNNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N4O4S2
All Atoms:64
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.4763
Area:773.634
Solvation:-6.86457
Coulombic:-38.5228
Bond Count [?]
All:36
Single:25
Double:11
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:502.652
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.39
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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