ChemDB: Chemical Search
Download
Chemical ID: 6556329
Chemical ID:
6556329
Name [?]:
(2-isopropylphenyl)carbamoylmethyl naphthalene-2-carboxylate
SMILES [?]:
CC(C)c1ccccc1NC(=O)COC(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H21NO3/c1-15(2)19-9-5-6-10-20(19)23-21(24)14-26-22(25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,6,7,21,24,5,8,19,18,26,13,2,20,25,17,4,9,11,15,10,12,16,14/E:(1,2)/rA:26nCCCCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3477 |
Area: | 584.754 |
Solvation: | -3.27114 |
Coulombic: | -43.6045 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.22 |
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 |
---|