Chemical ID: 7027048

c1ccc(cc1)N=c2n(c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4)C5CCCCC5
Chemical ID:
7027048
Name [?]:
3-cyclohexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-thiazol-2-imine
SMILES [?]:
c1ccc(cc1)N=c2n(c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4)C5CCCCC5
InChi [?]:
InChI=1/C25H29N3O2S2/c29-32(30,27-17-7-8-18-27)23-15-13-20(14-16-23)24-19-31-25(26-21-9-3-1-4-10-21)28(24)22-11-5-2-6-12-22/h1,3-4,9-10,13-16,19,22H,2,5-8,11-12,17-18H2
InChi Info:
AuxInfo=1/0/N:1,30,2,6,29,31,24,25,3,5,28,32,14,18,15,17,23,26,11,13,4,27,16,10,8,7,22,9,20,21,12,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(29,30)/CRV:32.6/rA:32nCCCCCCNCNCCSCCCCCCSOONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s22;s23;s24;s22s25;s9;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O2S2
All Atoms:61
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.6826
Area:619.395
Solvation:-2.80229
Coulombic:-23.1704
Bond Count [?]
All:36
Single:26
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:467.649
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.17
LogP (Chemaxon):6.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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