Chemical ID: 7660702

Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2C)COc3ccc(cc3)OC)C
Chemical ID:
7660702
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2C)COc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H26N4O3S/c1-14-10-15(2)21(16(3)11-14)23-20(27)13-30-22-25-24-19(26(22)4)12-29-18-8-6-17(28-5)7-9-18/h6-11H,12-13H2,1-5H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,8,30,19,29,24,26,23,27,7,3,20,12,2,6,4,25,22,17,10,5,14,9,16,15,18,11,28,21,13/E:(2,3)(6,7)(8,9)(10,11)(15,16)/rA:30nCCCCCCCCNCOCSCNNCNCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s25;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N4O3S
All Atoms:56
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:11.1941
Area:678.74
Solvation:-5.77436
Coulombic:-46.3304
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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