ChemDB: Chemical Search
Download
Chemical ID: 7038889
Chemical ID:
7038889
Name [?]:
[4-(dibenzamidomethyl)-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H22N2O5/c1-16(27)31-20-14-13-19(15-21(20)30-2)22(25-23(28)17-9-5-3-6-10-17)26-24(29)18-11-7-4-8-12-18/h3-15,22H,1-2H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,12,20,29,19,21,28,30,18,22,27,31,7,6,9,2,17,26,8,5,10,13,15,24,14,23,3,16,25,11,4/E:(3,4)(5,6,7,8)(9,10,11,12)(17,18)(23,24)(25,26)(28,29)/gE:(1,2)/rA:31nCCOOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O5 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7058 |
Area: | 657.844 |
Solvation: | -5.74029 |
Coulombic: | -70.6824 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.07 |
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 |
---|