Chemical ID: 6808674

CCCCNC(=O)CN1c2ccccc2C(=NCC1=O)c3ccccc3
Chemical ID:
6808674
Name [?]:
N-butyl-2-(3-oxo-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-2-yl)-acetamide
SMILES [?]:
CCCCNC(=O)CN1c2ccccc2C(=NCC1=O)c3ccccc3
InChi [?]:
InChI=1/C21H23N3O2/c1-2-3-13-22-19(25)15-24-18-12-8-7-11-17(18)21(23-14-20(24)26)16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,24,23,25,13,12,22,26,14,11,4,18,8,21,15,10,6,19,16,5,17,9,7,20/E:(5,6)(9,10)/rA:26nCCCCNCOCNCCCCCCCNCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s9s18;d19;s16;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8211
Area:569.77
Solvation:-3.4231
Coulombic:-45.7988
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.426
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.82
LogP (Chemaxon):2.62

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