Chemical ID: 4528605

CCN1c2ccccc2N(C1=CC=c3c(=O)n4c5ccccc5nc4s3)c6ccccc6
Chemical ID:
4528605
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2N(C1=CC=c3c(=O)n4c5ccccc5nc4s3)c6ccccc6
InChi [?]:
InChI=1/C26H20N4OS/c1-2-28-21-14-8-9-15-22(21)29(18-10-4-3-5-11-18)24(28)17-16-23-25(31)30-20-13-7-6-12-19(20)27-26(30)32-23/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,21,20,6,7,28,32,22,19,5,8,13,12,27,23,18,4,9,14,11,15,25,24,3,10,17,16,26/E:(4,5)(10,11)/rA:32nCCNCCCCCCNCCCCCONCCCCCCNCSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s17d24;s14s25;s10;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20N4OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.4436
Area:637.718
Solvation:-2.49939
Coulombic:-38.5613
Bond Count [?]
All:37
Single:24
Double:13
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:436.529
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.67
LogP (Chemaxon):6.91

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