Chemical ID: 5187162

CCOc1ccc(cc1C=C2C(=O)NC(=O)N2)Br
Chemical ID:
5187162
Name [?]:
5-[(5-bromo-2-ethoxy-phenyl)methylene]imidazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1C=C2C(=O)NC(=O)N2)Br
InChi [?]:
InChI=1/C12H11BrN2O3/c1-2-18-10-4-3-8(13)5-7(10)6-9-11(16)15-12(17)14-9/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,10,9,7,11,4,12,15,18,17,14,13,16,3/rA:18nCCOCCCCCCCCCONCONBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11BrN2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.73666
Area:433.334
Solvation:-3.09669
Coulombic:-51.1474
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.131
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.21
LogP (Chemaxon):1.71

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