Chemical ID: 6646624

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc3c2cccc3)Oc4cccc5c4cccc5
Chemical ID:
6646624
Name [?]:
[4-[2-(1-naphthyloxy)propanoylaminoiminomethyl]phenyl] naphthalene-1-carboxylate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc3c2cccc3)Oc4cccc5c4cccc5
InChi [?]:
InChI=1/C31H24N2O4/c1-21(36-29-15-7-11-24-9-3-5-13-27(24)29)30(34)33-32-20-22-16-18-25(19-17-22)37-31(35)28-14-6-10-23-8-2-4-12-26(23)28/h2-21H,1H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,25,36,24,35,19,30,26,37,20,31,23,34,18,29,9,13,10,12,7,2,8,21,32,11,22,33,17,28,3,15,6,5,4,16,27,14/E:(16,17)(18,19)/rA:37cCCCONNCCCCCCCOCOCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s2;s27;s28;d29;s30;d31;d28s32;s33;d34;s35;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H24N2O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.5598
Area:745.315
Solvation:-6.07312
Coulombic:-50.1037
Bond Count [?]
All:41
Single:25
Double:16
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:488.533
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:8.24
LogP (Chemaxon):6.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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