Chemical ID: 7215063

Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4ccncc4
Chemical ID:
7215063
Name [?]:
None
SMILES [?]:
Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4ccncc4
InChi [?]:
InChI=1/C15H11N5O2S/c1-8-10-13-18-12(9-3-5-16-6-4-9)19-20(13)7-17-14(10)23-11(8)15(21)22-2/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,19,23,20,22,9,2,18,3,13,6,4,11,14,21,10,5,7,8,15,16,12/E:(3,4)(5,6)/rA:23nCCCCNCNNCNCSCCOOCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;d3s10;s11;d2s12;s13;d14;s14;s16;s6;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N5O2S
All Atoms:34
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.61039
Area:501.426
Solvation:-2.92526
Coulombic:-41.2483
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.346
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.99
LogP (Chemaxon):2.07

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Descriptor Annotations

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