Chemical ID: 7165347

CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)Cn5c(cc(n5)C)C)C
Chemical ID:
7165347
Name [?]:
None
SMILES [?]:
CCc1c(sc2c1c3nc(nn3cn2)c4ccc(o4)Cn5c(cc(n5)C)C)C
InChi [?]:
InChI=1/C20H20N6OS/c1-5-15-13(4)28-20-17(15)19-22-18(24-26(19)10-21-20)16-7-6-14(27-16)9-25-12(3)8-11(2)23-25/h6-8,10H,5,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,2,17,16,23,20,13,24,22,4,18,3,15,7,10,8,6,14,9,25,11,21,12,19,5/rA:28nCCCCSCCCNCNNCNCCCCOCNCCCNCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s9;d10;s8s11;s12;s6d13;s10;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;s21d24;s24;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N6OS
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2965
Area:607.545
Solvation:-3.89214
Coulombic:-28.8594
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:392.479
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.41
LogP (Chemaxon):3.43

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Experimental Annotations

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Descriptor Annotations

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