Chemical ID: 4623249

CCN(CC)c1c2c(c3c4c(c(nc3s2)c5ccccc5)CCCC4)ncn1
Chemical ID:
4623249
Name [?]:
None
SMILES [?]:
CCN(CC)c1c2c(c3c4c(c(nc3s2)c5ccccc5)CCCC4)ncn1
InChi [?]:
InChI=1/C23H24N4S/c1-3-27(4-2)22-21-20(24-14-25-22)18-16-12-8-9-13-17(16)19(26-23(18)28-21)15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,18,20,24,23,17,21,25,22,27,16,10,11,9,12,8,7,6,14,26,28,13,3,15/E:(1,2)(3,4)(6,7)(10,11)/rA:28nCCNCCCCCCCCCNCSCCCCCCCCCCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;d17;s18;d19;d16s20;s11;s22;s23;s10s24;s8;d26;d6s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.7833
Area:582.806
Solvation:-1.78681
Coulombic:-26.0034
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.53
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.83
LogP (Chemaxon):6.81

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