ChemDB: Chemical Search
Download
Chemical ID: 6631304
Chemical ID:
6631304
Name [?]:
[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C29H26N2O5/c1-2-17-34-25-14-10-23(11-15-25)29(33)36-26-12-7-21(8-13-26)19-30-31-28(32)20-35-27-16-9-22-5-3-4-6-24(22)18-27/h3-16,18-19H,2,17,20H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,32,33,31,34,16,18,29,7,9,15,19,6,10,28,3,36,20,25,17,30,8,35,5,14,27,23,11,21,22,24,12,4,26,13/E:(7,8)(10,11)(12,13)(14,15)/rA:36nCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8045 |
Area: | 777.736 |
Solvation: | -7.63893 |
Coulombic: | -54.6574 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 482.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 7.14 |
LogP (Chemaxon): | 5.81 |
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 |
---|