Chemical ID: 6646757

c1ccc2cc(ccc2c1)OCC(=O)NN=Cc3ccc(cc3)OC(=O)c4cccc5c4cccc5
Chemical ID:
6646757
Name [?]:
[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] naphthalene-1-carboxylate
SMILES [?]:
c1ccc2cc(ccc2c1)OCC(=O)NN=Cc3ccc(cc3)OC(=O)c4cccc5c4cccc5
InChi [?]:
InChI=1/C30H22N2O4/c33-29(20-35-26-17-14-22-6-1-2-8-24(22)18-26)32-31-19-21-12-15-25(16-13-21)36-30(34)28-11-5-9-23-7-3-4-10-27(23)28/h1-19H,20H2,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,2,35,34,29,10,36,3,30,33,28,19,23,8,20,22,7,5,17,12,18,9,31,4,21,6,32,27,13,25,16,15,14,26,11,24/E:(12,13)(15,16)/rA:36nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H22N2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.984
Area:736.396
Solvation:-6.42585
Coulombic:-48.8866
Bond Count [?]
All:40
Single:24
Double:16
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:474.507
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.71
LogP (Chemaxon):6.25

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