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Chemical ID: 6646757
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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