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Chemical ID: 4652012
Chemical ID:
4652012
Name [?]:
None
SMILES [?]:
CCCCCCSc1c2c(c3c4c(c(nc3s2)CC(C)C)COC(C4)(C)C)ncn1
InChi [?]:
InChI=1/C24H33N3OS2/c1-6-7-8-9-10-29-23-21-20(25-14-26-23)19-16-12-24(4,5)28-13-17(16)18(11-15(2)3)27-22(19)30-21/h14-15H,6-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,26,27,2,3,4,5,6,18,25,22,29,19,12,13,14,11,10,9,16,8,24,28,30,15,23,7,17/E:(2,3)(4,5)/rA:30nCCCCCCSCCCCCCCNCSCCCCCOCCCCNCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s19;s19;s13;s22;s23;s12s24;s24;s24;s10;d28;d8s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33N3OS2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4435 |
Area: | 678.56 |
Solvation: | -2.5205 |
Coulombic: | -27.1677 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 443.67 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.1 |
LogP (Chemaxon): | 6.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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