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Chemical ID: 6628284
Chemical ID:
6628284
Name [?]:
[2-ethoxy-4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H24N2O5/c1-2-33-26-16-20(12-15-25(26)35-28(32)22-9-4-3-5-10-22)18-29-30-27(31)19-34-24-14-13-21-8-6-7-11-23(21)17-24/h3-18H,2,19H2,1H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,31,32,30,14,18,33,7,28,27,8,5,35,19,24,6,29,13,34,26,9,4,22,11,20,21,23,12,3,25,10/E:(4,5)(9,10)/rA:35nCCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;s29;d30;s31;d32;d29s33;d26s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9957 |
Area: | 742.542 |
Solvation: | -7.56783 |
Coulombic: | -55.3028 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.51 |
LogP (Chemaxon): | 5.34 |
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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