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Chemical ID: 7725101
Chemical ID:
7725101
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCNC(=O)CSc2ccc3nnc(n3n2)c4cccnc4
InChi [?]:
InChI=1/C20H18N6OS/c27-18(22-12-10-15-5-2-1-3-6-15)14-28-19-9-8-17-23-24-20(26(17)25-19)16-7-4-11-21-13-16/h1-9,11,13H,10,12,14H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,3,5,24,16,15,7,26,8,28,12,4,23,17,10,14,20,27,9,18,19,22,21,11,13/E:(2,3)(5,6)/rA:28nCCCCCCCCNCOCSCCCCNNCNNCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;d14s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N6OS |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.9142 |
Area: | 622.258 |
Solvation: | -3.64223 |
Coulombic: | -37.7637 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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