Chemical ID: 4336219

Cc1ccc(o1)C=C2C(=O)NC(=O)N(C2=O)c3cccc(c3)Br
Chemical ID:
4336219
Name [?]:
1-(3-bromophenyl)-5-[(5-methyl-2-furyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)NC(=O)N(C2=O)c3cccc(c3)Br
InChi [?]:
InChI=1/C16H11BrN2O4/c1-9-5-6-12(23-9)8-13-14(20)18-16(22)19(15(13)21)11-4-2-3-10(17)7-11/h2-8H,1H3,(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,3,4,22,7,2,21,17,5,8,9,15,12,23,11,14,10,16,13,6/rA:23nCCCCCOCCCONCONCOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;d12;s12;s8s14;d15;s14;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.58693
Area:499.732
Solvation:-3.90636
Coulombic:-52.7414
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:375.174
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.13
LogP (Chemaxon):2.37

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