Chemical ID: 7214901

Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4c(c(n(n4)C)C)Cl
Chemical ID:
7214901
Name [?]:
None
SMILES [?]:
Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4c(c(n(n4)C)C)Cl
InChi [?]:
InChI=1/C15H13ClN6O2S/c1-6-8-13-18-12(10-9(16)7(2)21(3)19-10)20-22(13)5-17-14(8)25-11(6)15(23)24-4/h5H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,23,17,9,2,20,3,19,18,13,6,4,11,14,25,10,5,22,7,21,8,15,16,12/rA:25nCCCCNCNNCNCSCCOOCCCCNNCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;d3s10;s11;d2s12;s13;d14;s14;s16;s6;s18;d19;s20;d18s21;s21;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN6O2S
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8846
Area:552.706
Solvation:-2.93303
Coulombic:-41.9882
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.822
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.51
LogP (Chemaxon):2.59

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Descriptor Annotations

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