Chemical ID: 4573627

c1ccc(cc1)CN2CCC(CC2)N3CC(=O)N4C(C3=O)Cc5c6ccccc6[nH]c5C4c7cccc8c7cccc8
Chemical ID:
4573627
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)N3CC(=O)N4C(C3=O)Cc5c6ccccc6[nH]c5C4c7cccc8c7cccc8
InChi [?]:
InChI=1/C36H34N4O2/c41-33-23-39(26-17-19-38(20-18-26)22-24-9-2-1-3-10-24)36(42)32-21-30-28-14-6-7-16-31(28)37-34(30)35(40(32)33)29-15-8-12-25-11-4-5-13-27(25)29/h1-16,26,32,35,37H,17-23H2
InChi Info:
AuxInfo=1/0/N:1,2,6,41,40,26,27,35,3,5,42,36,39,25,34,28,10,12,9,13,22,7,15,4,37,11,38,24,33,23,29,19,16,31,32,20,30,8,14,18,17,21/E:(2,3)(9,10)(17,18)(19,20)/rA:42cCCCCCCCNCCCCCNCCONCCOCCCCCCCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s16;s18;s14s19;d20;s19;s22;s23;s24;d25;s26;d27;d24s28;s29;d23s30;s18s31;s32;s33;d34;s35;d36;d33s37;s38;d39;s40;s37d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C36H34N4O2
All Atoms:42
Heavy Atoms:42
Chiral Atoms:2
ZAP Information [?]
Total:15.1177
Area:772.453
Solvation:-4.19363
Coulombic:-53.4022
Bond Count [?]
All:49
Single:35
Double:14
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:554.681
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.31
LogP (Chemaxon):5.06

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