ChemDB: Chemical Search
Download
Chemical ID: 5383703
Chemical ID:
5383703
Name [?]:
(4-carbamoylphenyl)carbamoylmethyl 2-hydroxy-3-methyl-benzoate
SMILES [?]:
Cc1cccc(c1O)C(=O)OCC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C17H16N2O5/c1-10-3-2-4-13(15(10)21)17(23)24-9-14(20)19-12-7-5-11(6-8-12)16(18)22/h2-8,21H,9H2,1H3,(H2,18,22)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,18,20,17,21,12,2,19,16,6,13,7,22,9,24,15,14,8,23,10,11/E:(5,6)(7,8)/rA:24nCCCCCCCOCOOCCONCCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44325 |
Area: | 545.025 |
Solvation: | -5.18238 |
Coulombic: | -81.7991 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 328.319 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.16 |
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 |
---|