Chemical ID: 6424378

CCN(CC)CCn1c2ccccc2nc(c1=O)Cc3cc(c(c(c3)OC)OC)OC
Chemical ID:
6424378
Name [?]:
1-(2-diethylaminoethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-one
SMILES [?]:
CCN(CC)CCn1c2ccccc2nc(c1=O)Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C24H31N3O4/c1-6-26(7-2)12-13-27-20-11-9-8-10-18(20)25-19(24(27)28)14-17-15-21(29-3)23(31-5)22(16-17)30-4/h8-11,15-16H,6-7,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,27,31,29,2,4,12,11,13,10,6,7,19,25,21,20,14,16,9,24,22,23,17,15,3,8,18,26,30,28/E:(1,2)(3,4)(6,7)(15,16)(21,22)(29,30)/rA:31nCCNCCCCNCCCCCCNCCOCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s16;d17;s16;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.1541
Area:671.685
Solvation:-6.63805
Coulombic:-50.756
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:425.521
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.24
LogP (Chemaxon):3.19

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