Chemical ID: 4659863

CCCN(CCC)c1c2c(c3c4c(c(nc3s2)c5ccccc5)CCC4)ncn1
Chemical ID:
4659863
Name [?]:
None
SMILES [?]:
CCCN(CCC)c1c2c(c3c4c(c(nc3s2)c5ccccc5)CCC4)ncn1
InChi [?]:
InChI=1/C24H26N4S/c1-3-13-28(14-4-2)23-22-21(25-15-26-23)19-17-11-8-12-18(17)20(27-24(19)29-22)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,21,20,22,25,19,23,26,24,3,5,28,18,12,13,11,14,10,9,8,16,27,29,15,4,17/E:(1,2)(3,4)(6,7)(9,10)(13,14)/rA:29nCCCNCCCCCCCCCCNCSCCCCCCCCCNCN/rB:s1;s2;s3;s4;s5;s6;s4;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;d19;s20;d21;d18s22;s13;s24;s12s25;s10;d27;d8s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.5111
Area:616.186
Solvation:-1.8936
Coulombic:-26.4004
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.556
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.98
LogP (Chemaxon):7.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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