ChemDB: Chemical Search
Download
Chemical ID: 7270710
Chemical ID:
7270710
Name [?]:
N-[(2-bromophenyl)carbamoylmethyl]-N-(2-furylmethyl)cyclohexanecarboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CN(Cc2ccco2)C(=O)C3CCCCC3)Br
InChi [?]:
InChI=1/C20H23BrN2O3/c21-17-10-4-5-11-18(17)22-19(24)14-23(13-16-9-6-12-26-16)20(25)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:23,22,24,2,1,15,21,25,14,3,6,16,12,10,20,13,4,5,8,18,26,7,11,9,19,17/E:(2,3)(7,8)/rA:26nCCCCCCNCOCNCCCCCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;s13s16;s11;d18;s18;s20;s21;s22;s23;s20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23BrN2O3 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4927 |
Area: | 570.13 |
Solvation: | -3.76051 |
Coulombic: | -44.8872 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.28 |
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 |
---|