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Chemical ID: 6646906
Chemical ID:
6646906
Name [?]:
[1-[[2-(3,4-dimethylphenoxy)acetyl]aminoiminomethyl]-2-naphthyl] benzoate
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccccc4
InChi [?]:
InChI=1/C28H24N2O4/c1-19-12-14-23(16-20(19)2)33-18-27(31)30-29-17-25-24-11-7-6-8-21(24)13-15-26(25)34-28(32)22-9-4-3-5-10-22/h3-17H,18H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,8,32,31,33,20,19,21,30,34,18,3,23,4,24,6,15,10,2,7,22,29,5,17,16,25,11,27,14,13,12,28,9,26/E:(4,5)(9,10)/rA:34nCCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;w14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;s26;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3786 |
Area: | 693.5 |
Solvation: | -5.95885 |
Coulombic: | -48.2304 |
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: | 7.32 |
LogP (Chemaxon): | 6.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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