Chemical ID: 5287435

CCCCN(C)c1c2c(c3c4c(c(nc3s2)CCC)CCC4)ncn1
Chemical ID:
5287435
Name [?]:
None
SMILES [?]:
CCCCN(C)c1c2c(c3c4c(c(nc3s2)CCC)CCC4)ncn1
InChi [?]:
InChI=1/C20H26N4S/c1-4-6-11-24(3)19-18-17(21-12-22-19)16-14-10-7-9-13(14)15(8-5-2)23-20(16)25-18/h12H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,6,2,18,3,21,17,20,22,4,24,12,11,13,10,9,8,7,15,23,25,14,5,16/rA:25nCCCCNCCCCCCCCNCSCCCCCCNCN/rB:s1;s2;s3;s4;s5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s13;s17;s18;s12;s20;s11s21;s9;d23;d7s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.5138
Area:569.785
Solvation:-1.73081
Coulombic:-24.4907
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.513
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.87
LogP (Chemaxon):6.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue