Chemical ID: 4828037

CCCCCNc1c2c(c3c4c(c(nc3s2)N5CCCC5)COC(C4)(C)C)ncn1
Chemical ID:
4828037
Name [?]:
None
SMILES [?]:
CCCCCNc1c2c(c3c4c(c(nc3s2)N5CCCC5)COC(C4)(C)C)ncn1
InChi [?]:
InChI=1/C23H31N5OS/c1-4-5-6-9-24-20-19-18(25-14-26-20)17-15-12-23(2,3)29-13-16(15)21(27-22(17)30-19)28-10-7-8-11-28/h14H,4-13H2,1-3H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,3,4,19,20,5,18,21,25,22,29,11,12,10,9,8,7,13,15,24,6,28,30,14,17,23,16/E:(2,3)(7,8)(10,11)/rA:30nCCCCCNCCCCCCCNCSNCCCCCOCCCCNCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s13;s17;s18;s19;s17s20;s12;s22;s23;s11s24;s24;s24;s9;d28;d7s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N5OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.5987
Area:654.712
Solvation:-2.76907
Coulombic:-44.214
Bond Count [?]
All:34
Single:28
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.591
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):5.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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