Chemical ID: 7746084

CCSc1nc(c2c(n1)NC3=C(C2c4ccc(cc4)OC)C(=O)CC(C3)(C)C)N
Chemical ID:
7746084
Name [?]:
None
SMILES [?]:
CCSc1nc(c2c(n1)NC3=C(C2c4ccc(cc4)OC)C(=O)CC(C3)(C)C)N
InChi [?]:
InChI=1/C22H26N4O2S/c1-5-29-21-25-19(23)18-16(12-6-8-13(28-4)9-7-12)17-14(24-20(18)26-21)10-22(2,3)11-15(17)27/h6-9,16H,5,10-11H2,1-4H3,(H3,23,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,21,2,15,19,16,18,26,24,14,17,11,22,13,12,7,6,8,4,25,29,10,5,9,23,20,3/E:(2,3)(6,7)(8,9)/rA:29cCCSCNCCCNNCCCCCCCCCOCCOCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s12;d22;s22;s24;s11s25;s25;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N4O2S
All Atoms:55
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:10.7599
Area:585.424
Solvation:-3.87573
Coulombic:-55.1337
Bond Count [?]
All:32
Single:24
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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