Chemical ID: 5457367

CCOC(=O)COc1ccc(cc1C=C2C(=O)NC(=O)NC2=O)Br
Chemical ID:
5457367
Name [?]:
ethyl 2-[4-bromo-2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1C=C2C(=O)NC(=O)NC2=O)Br
InChi [?]:
InChI=1/C15H13BrN2O6/c1-2-23-12(19)7-24-11-4-3-9(16)5-8(11)6-10-13(20)17-15(22)18-14(10)21/h3-6H,2,7H2,1H3,(H2,17,18,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,9,12,14,6,13,11,15,8,4,16,22,19,24,18,21,5,17,23,20,3,7/E:(13,14)(17,18)(20,21)/rA:24nCCOCOCOCCCCCCCCCONCONCOBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;d16;s16;s18;d19;s19;s15s21;d22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.40115
Area:545.005
Solvation:-5.22396
Coulombic:-77.2158
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.178
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.53
LogP (Chemaxon):1.15

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