Chemical ID: 3961991

c1ccc2c(c1)C(=O)N3CCCC3C(=O)N2CC(=O)N4CCCC4
Chemical ID:
3961991
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CCCC3C(=O)N2CC(=O)N4CCCC4
InChi [?]:
InChI=1/C18H21N3O3/c22-16(19-9-3-4-10-19)12-21-14-7-2-1-6-13(14)17(23)20-11-5-8-15(20)18(21)24/h1-2,6-7,15H,3-5,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,22,23,11,6,3,12,21,24,10,17,5,4,13,18,7,14,20,9,16,19,8,15/E:(3,4)(9,10)/rA:24cCCCCCCCONCCCCCONCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s4s14;s16;s17;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.92481
Area:499.602
Solvation:-3.56523
Coulombic:-50.0856
Bond Count [?]
All:27
Single:21
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.378
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.86
LogP (Chemaxon):0.01

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