Chemical ID: 4792657

c1ccc(cc1)N2CCN(CC2)Cc3cc(=O)oc4c3c5ccccc5cc4
Chemical ID:
4792657
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)Cc3cc(=O)oc4c3c5ccccc5cc4
InChi [?]:
InChI=1/C24H22N2O2/c27-23-16-19(24-21-9-5-4-6-18(21)10-11-22(24)28-23)17-25-12-14-26(15-13-25)20-7-2-1-3-8-20/h1-11,16H,12-15,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,23,25,3,5,22,27,28,9,11,8,12,15,13,26,14,4,21,19,16,20,10,7,17,18/E:(2,3)(7,8)(12,13)(14,15)/rA:28nCCCCCCNCCNCCCCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;s16;s18;s14s19;d20;s21;d22;s23;d24;s21s25;d26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6333
Area:555.421
Solvation:-3.25219
Coulombic:-32.584
Bond Count [?]
All:32
Single:22
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:370.444
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):4.96

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