Chemical ID: 4813855

CCc1nc2c(c3c(s2)COC(C3)(C)C)c4n1c(nn4)SC
Chemical ID:
4813855
Name [?]:
None
SMILES [?]:
CCc1nc2c(c3c(s2)COC(C3)(C)C)c4n1c(nn4)SC
InChi [?]:
InChI=1/C15H18N4OS2/c1-5-10-16-13-11(12-17-18-14(21-4)19(10)12)8-6-15(2,3)20-7-9(8)22-13/h5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,22,2,13,10,7,8,3,6,16,5,18,12,4,20,19,17,11,21,9/E:(2,3)/rA:22nCCCNCCCCSCOCCCCCNCNNSC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;s8;s10;s11;s7s12;s12;s12;s6;s3s16;s17;d18;d16s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0046
Area:490.768
Solvation:-2.26458
Coulombic:-25.9936
Bond Count [?]
All:25
Single:20
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.462
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.14
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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