Chemical ID: 3887663

Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCCC5
Chemical ID:
3887663
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCCC5
InChi [?]:
InChI=1/C26H31N3O2S/c1-18-10-12-19(13-11-18)25-24-20-8-4-5-9-21(20)32-26(24)29(22(30)16-27-25)17-23(31)28-14-6-2-3-7-15-28/h10-13H,2-9,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,30,21,20,28,31,22,19,3,7,4,6,27,32,10,23,2,5,16,17,11,24,15,8,14,9,26,13,12,25,18/E:(2,3)(6,7)(10,11)(12,13)(14,15)/rA:32nCCCCCCCCNCCONCCCCSCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s19;s20;s16s21;s13;s23;d24;s24;s26;s27;s28;s29;s30;s26s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31N3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4133
Area:637.204
Solvation:-3.51683
Coulombic:-40.1881
Bond Count [?]
All:36
Single:28
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:449.609
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.99
LogP (Chemaxon):3.66

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