Chemical ID: 7247956

Cc1ccsc1C(=O)NNC(=O)COc2ccc(cc2)Br
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

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