ChemDB: Chemical Search
Download
Chemical ID: 6557857
Chemical ID:
6557857
Name [?]:
(4-carbamoylphenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C18H18N2O5/c1-2-24-15-9-5-13(6-10-15)18(23)25-11-16(21)20-14-7-3-12(4-8-14)17(19)22/h3-10H,2,11H2,1H3,(H2,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,21,6,8,18,22,5,9,13,20,7,17,4,14,23,10,25,16,15,24,11,3,12/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCCOOCCONCCCCCCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99746 |
Area: | 582.184 |
Solvation: | -5.55713 |
Coulombic: | -73.3222 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.346 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.42 |
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 |
---|