Chemical ID: 5282651

CCN1CCN(CC1)c2c3c(c4c5c(c(nc4s3)C(C)C)COC(C5)(C)C)nc(n2)SC
Chemical ID:
5282651
Name [?]:
None
SMILES [?]:
CCN1CCN(CC1)c2c3c(c4c5c(c(nc4s3)C(C)C)COC(C5)(C)C)nc(n2)SC
InChi [?]:
InChI=1/C24H33N5OS2/c1-7-28-8-10-29(11-9-28)21-20-19(26-23(27-21)31-6)17-15-12-24(4,5)30-13-16(15)18(14(2)3)25-22(17)32-20/h14H,7-13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,20,21,26,27,32,2,4,8,5,7,25,22,19,13,14,12,15,11,10,9,17,29,24,16,28,30,3,6,23,31,18/E:(2,3)(4,5)(8,9)(10,11)/rA:32nCCNCCNCCCCCCCCCNCSCCCCOCCCCNCNSC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;s19;s19;s14;s22;s23;s13s24;s24;s24;s11;d28;d9s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N5OS2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.3385
Area:664.607
Solvation:-3.27664
Coulombic:-38.1041
Bond Count [?]
All:36
Single:30
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:471.684
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.89
LogP (Chemaxon):5.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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