ChemDB: Chemical Search
Download
Chemical ID: 7247956
Chemical ID:
7247956
Name [?]:
N'-[2-(4-bromophenoxy)acetyl]-3-methyl-thiophene-2-carbohydrazide
SMILES [?]:
Cc1ccsc1C(=O)NNC(=O)COc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H13BrN2O3S/c1-9-6-7-21-13(9)14(19)17-16-12(18)8-20-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,19,16,20,3,4,13,2,18,15,11,6,7,21,10,9,12,8,14,5/E:(2,3)(4,5)/rA:21nCCCCSCCONNCOCOCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13BrN2O3S |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77879 |
Area: | 528.144 |
Solvation: | -4.42482 |
Coulombic: | -45.0282 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.235 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.5 |
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 |
---|