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Chemical ID: 5282651
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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