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Chemical ID: 6646523
Chemical ID:
6646523
Name [?]:
[4-[2-(1-naphthyloxy)propanoylaminoiminomethyl]phenyl] 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C28H24N2O4/c1-19-8-3-5-11-24(19)28(32)34-23-16-14-21(15-17-23)18-29-30-27(31)20(2)33-26-13-7-10-22-9-4-6-12-25(22)26/h3-18,20H,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,23,4,33,5,32,27,3,34,28,6,31,26,13,15,12,16,17,2,22,14,29,11,7,30,25,20,8,18,19,21,9,24,10/E:(14,15)(16,17)/rA:34cCCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s22;s24;s25;d26;s27;d28;d25s29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6711 |
Area: | 701.181 |
Solvation: | -5.85842 |
Coulombic: | -49.1499 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 452.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 7.41 |
LogP (Chemaxon): | 6.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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