Chemical ID: 5632398

c1cc(cc(c1)Br)C2=NC(=Cc3cc(cs3)Br)C(=O)O2
Chemical ID:
5632398
Name [?]:
2-(3-bromophenyl)-4-[(4-bromo-2-thienyl)methylene]oxazol-5-one
SMILES [?]:
c1cc(cc(c1)Br)C2=NC(=Cc3cc(cs3)Br)C(=O)O2
InChi [?]:
InChI=1/C14H7Br2NO2S/c15-9-3-1-2-8(4-9)13-17-12(14(18)19-13)6-11-5-10(16)7-20-11/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,4,13,11,15,3,5,14,12,10,8,18,7,17,9,19,20,16/rA:20nCCCCCCBrCNCCCCCCSBrCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;w10;s11;d12;s13;d14;s12s15;s14;s10;d18;s8s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7Br2NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.6612
Area:495.061
Solvation:-1.71529
Coulombic:-28.3333
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:413.085
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.32
LogP (Chemaxon):4.65

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