Chemical ID: 5928434

Cc1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCCCC(=O)NC5CC5
Chemical ID:
5928434
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCCCC(=O)NC5CC5
InChi [?]:
InChI=1/C24H25N5OS/c1-16-8-10-17(11-9-16)15-29-20-6-3-2-5-19(20)22-23(29)26-24(28-27-22)31-14-4-7-21(30)25-18-12-13-18/h2-3,5-6,8-11,18H,4,7,12-15H2,1H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,13,12,24,14,11,25,3,7,4,6,30,31,23,8,2,5,29,15,10,26,16,17,19,28,18,21,20,9,27,22/E:(8,9)(10,11)(12,13)/rA:31nCCCCCCCCNCCCCCCCCNCNNSCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s18;d19;d16s20;s19;s22;s23;s24;s25;d26;s26;s28;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25N5OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.3022
Area:692.25
Solvation:-3.00403
Coulombic:-41.0013
Bond Count [?]
All:35
Single:25
Double:10
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:431.554
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.16
LogP (Chemaxon):4.68

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Descriptor Annotations

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