Chemical ID: 7215174

Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4ccc(o4)Cn5cccn5
Chemical ID:
7215174
Name [?]:
None
SMILES [?]:
Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4ccc(o4)Cn5cccn5
InChi [?]:
InChI=1/C18H14N6O3S/c1-10-13-16-21-15(12-5-4-11(27-12)8-23-7-3-6-20-23)22-24(16)9-19-17(13)28-14(10)18(25)26-2/h3-7,9H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,26,20,19,27,25,23,9,2,21,18,3,13,6,4,11,14,10,28,5,7,24,8,15,16,22,12/rA:28nCCCCNCNNCNCSCCOOCCCCCOCNCCCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;d3s10;s11;d2s12;s13;d14;s14;s16;s6;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;s24d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N6O3S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4474
Area:597.725
Solvation:-4.49572
Coulombic:-47.9754
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.408
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.24
LogP (Chemaxon):2.15

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Experimental Annotations

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Descriptor Annotations

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