Chemical ID: 7725101

c1ccc(cc1)CCNC(=O)CSc2ccc3nnc(n3n2)c4cccnc4
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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