Chemical ID: 7744650

Cc1ccc(cc1)Cc2c(=O)[nH]c3nnc(n3n2)SCC(=O)Nc4ccc(cc4)C(C)C
Chemical ID:
7744650
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Cc2c(=O)[nH]c3nnc(n3n2)SCC(=O)Nc4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C23H24N6O2S/c1-14(2)17-8-10-18(11-9-17)24-20(30)13-32-23-27-26-22-25-21(31)19(28-29(22)23)12-16-6-4-15(3)5-7-16/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,25,26,31)
InChi Info:
AuxInfo=1/1/N:31,32,1,3,7,4,6,26,28,25,29,8,20,30,2,5,27,24,9,21,10,13,16,23,12,14,15,18,17,22,11,19/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:32nCCCCCCCCCCONCNNCNNSCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;d9s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N6O2S
All Atoms:56
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:13.5636
Area:696.027
Solvation:-3.83712
Coulombic:-55.2077
Bond Count [?]
All:35
Single:24
Double:11
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.22
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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