Chemical ID: 4902942

CCN(CC)CCCNc1c2c(c3c4c(c(nc3s2)N5CCCC5)COC(C4)(C)C)ncn1
Chemical ID:
4902942
Name [?]:
None
SMILES [?]:
CCN(CC)CCCNc1c2c(c3c4c(c(nc3s2)N5CCCC5)COC(C4)(C)C)ncn1
InChi [?]:
InChI=1/C25H36N6OS/c1-5-30(6-2)11-9-10-26-22-21-20(27-16-28-22)19-17-14-25(3,4)32-15-18(17)23(29-24(19)33-21)31-12-7-8-13-31/h16H,5-15H2,1-4H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,5,29,30,2,4,22,23,7,8,6,21,24,28,25,32,14,15,13,12,11,10,16,18,27,9,31,33,17,3,20,26,19/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:33nCCNCCCCCNCCCCCCCNCSNCCCCCOCCCCNCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s16;s20;s21;s22;s20s23;s15;s25;s26;s14s27;s27;s27;s12;d31;d10s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H36N6OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.6194
Area:717.237
Solvation:-3.31151
Coulombic:-48.225
Bond Count [?]
All:37
Single:31
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.659
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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