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Chemical ID: 7165347
Chemical ID:
7165347
Name [?]:
None
SMILES [?]:
CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)Cn5c(cc(n5)C)C)C
InChi [?]:
InChI=1/C20H20N6OS/c1-5-15-13(4)28-20-17(15)19-22-18(24-26(19)10-21-20)16-7-6-14(27-16)9-25-12(3)8-11(2)23-25/h6-8,10H,5,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,2,17,16,23,20,13,24,22,4,18,3,15,7,10,8,6,14,9,25,11,21,12,19,5/rA:28nCCCCSCCCNCNNCNCCCCOCNCCCNCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s9;d10;s8s11;s12;s6d13;s10;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;s21d24;s24;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N6OS |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2965 |
Area: | 607.545 |
Solvation: | -3.89214 |
Coulombic: | -28.8594 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 392.479 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.41 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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