Chemical ID: 7215194

CCn1cc(c(n1)c2nc3c4c(c(sc4ncn3n2)C(=O)OCC)C)Cl
Chemical ID:
7215194
Name [?]:
None
SMILES [?]:
CCn1cc(c(n1)c2nc3c4c(c(sc4ncn3n2)C(=O)OCC)C)Cl
InChi [?]:
InChI=1/C16H15ClN6O2S/c1-4-22-6-9(17)11(20-22)13-19-14-10-8(3)12(16(24)25-5-2)26-15(10)18-7-23(14)21-13/h6-7H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,2,23,4,17,12,5,11,6,13,8,10,15,20,26,16,9,7,19,3,18,21,22,14/rA:26nCCNCCCNCNCCCCSCNCNNCOOCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;d9;s10;s11;d12;s13;d11s14;s15;d16;s10s17;d8s18;s13;d20;s20;s22;s23;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN6O2S
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9802
Area:590.758
Solvation:-2.78873
Coulombic:-42.5375
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:390.848
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.12
LogP (Chemaxon):3.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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