ChemDB: Chemical Search
Download
Chemical ID: 7250770
Chemical ID:
7250770
Name [?]:
5-bromo-N-(carbamoylmethyl)-N-isopropyl-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)N(CC(=O)N)C(C)C)Br
InChi [?]:
InChI=1/C15H17BrN2O3/c1-8(2)18(7-13(17)19)15(20)14-9(3)11-6-10(16)4-5-12(11)21-14/h4-6,8H,7H2,1-3H3,(H2,17,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,6,7,4,14,18,2,5,3,8,15,10,11,21,17,13,16,12,9/E:(1,2)/rA:21nCCCCCCCCOCCONCCONCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s15;s13;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17BrN2O3 |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86719 |
Area: | 474.189 |
Solvation: | -2.98754 |
Coulombic: | -51.8369 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.211 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.1 |
LogP (Chemaxon): | 2.23 |
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 |
---|