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Chemical ID: 6629826
Chemical ID:
6629826
Name [?]:
[2-ethoxy-4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C30H28N2O6/c1-3-35-25-13-11-23(12-14-25)30(34)38-27-16-9-21(17-28(27)36-4-2)19-31-32-29(33)20-37-26-15-10-22-7-5-6-8-24(22)18-26/h5-19H,3-4,20H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,34,35,33,36,15,31,6,8,5,9,30,14,17,38,22,27,16,32,7,37,4,29,13,18,25,10,23,24,26,11,3,19,28,12/E:(11,12)(13,14)/rA:38nCCOCCCCCCCOOCCCCCCOCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s16;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3193 |
Area: | 807.345 |
Solvation: | -8.8643 |
Coulombic: | -61.5461 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 512.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 6.85 |
LogP (Chemaxon): | 5.43 |
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
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