ChemDB: Chemical Search
Download
Chemical ID: 6629767
Chemical ID:
6629767
Name [?]:
[2-methoxy-4-[2-(1-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)C(C)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C30H28N2O6/c1-4-36-24-15-13-23(14-16-24)30(34)38-27-17-12-21(18-28(27)35-3)19-31-32-29(33)20(2)37-26-11-7-9-22-8-5-6-10-25(22)26/h5-20H,4H2,1-3H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,27,20,2,37,36,31,38,32,35,30,15,6,8,5,9,14,17,21,26,16,33,7,4,34,29,13,18,24,10,22,23,25,11,19,3,28,12/E:(13,14)(15,16)/rA:38cCCOCCCCCCCOOCCCCCCOCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0081 |
Area: | 780.363 |
Solvation: | -8.50099 |
Coulombic: | -62.5781 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 512.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 6.95 |
LogP (Chemaxon): | 5.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|