ChemDB: Chemical Search
Download
Chemical ID: 6603011
Chemical ID:
6603011
Name [?]:
(4-methoxycarbonylphenyl)carbamoylmethyl 3-dimethylaminobenzoate
SMILES [?]:
CN(C)c1cccc(c1)C(=O)OCC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C19H20N2O5/c1-21(2)16-6-4-5-14(11-16)19(24)26-12-17(22)20-15-9-7-13(8-10-15)18(23)25-3/h4-11H,12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,26,6,7,5,19,21,18,22,9,13,20,8,17,4,14,23,10,16,2,15,24,11,25,12/E:(1,2)(7,8)(9,10)/rA:26nCNCCCCCCCCOOCCONCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5398 |
Area: | 603.392 |
Solvation: | -4.54502 |
Coulombic: | -66.4323 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 356.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.49 |
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 |
---|