Chemical ID: 4568462

c1ccc(cc1)CC(C(=O)O)NC(=O)N2CC3CC(C2)c4cccc(=O)n4C3
Chemical ID:
4568462
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)NC(=O)N2CC3CC(C2)c4cccc(=O)n4C3
InChi [?]:
InChI=1/C21H23N3O4/c25-19-8-4-7-18-16-9-15(12-24(18)19)11-23(13-16)21(28)22-17(20(26)27)10-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H,22,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,3,5,22,24,18,7,16,28,20,4,17,19,8,21,25,9,13,12,15,27,26,10,11,14/E:(2,3)(5,6)(26,27)/rA:28cCCCCCCCCCOONCONCCCCCCCCCCONC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;s15;s16;s17;s18;s15s19;s19;d21;s22;d23;s24;d25;s21s25;s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:8.63299
Area:538.06
Solvation:-4.81852
Coulombic:-72.8433
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.425
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.77
LogP (Chemaxon):1.51

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