Chemical ID: 4366233

CCCCC(=O)N1c2ccccc2NC3=C(C1c4ccc(cc4)C)C(=O)CCC3
Chemical ID:
4366233
Name [?]:
None
SMILES [?]:
CCCCC(=O)N1c2ccccc2NC3=C(C1c4ccc(cc4)C)C(=O)CCC3
InChi [?]:
InChI=1/C25H28N2O2/c1-3-4-12-23(29)27-21-10-6-5-8-19(21)26-20-9-7-11-22(28)24(20)25(27)18-15-13-17(2)14-16-18/h5-6,8,10,13-16,25-26H,3-4,7,9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,3,11,10,28,12,29,9,27,4,20,22,19,23,21,18,13,15,8,25,5,16,17,14,7,26,6/E:(13,14)(15,16)/rA:29cCCCCCONCCCCCCNCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s7s16;s17;s18;d19;s20;d21;d18s22;s21;s16;d25;s25;s27;s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.9186
Area:577.809
Solvation:-3.52659
Coulombic:-35.123
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.502
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):4.35

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