Chemical ID: 4418971

COc1cc(cc(c1O)OC)C=C2C(=O)NC(=O)N(C2=O)Cc3ccccc3
Chemical ID:
4418971
Name [?]:
1-benzyl-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1cc(cc(c1O)OC)C=C2C(=O)NC(=O)N(C2=O)Cc3ccccc3
InChi [?]:
InChI=1/C20H18N2O6/c1-27-15-9-13(10-16(28-2)17(15)23)8-14-18(24)21-20(26)22(19(14)25)11-12-6-4-3-5-7-12/h3-10,23H,11H2,1-2H3,(H,21,24,26)
InChi Info:
AuxInfo=1/1/N:1,11,26,25,27,24,28,12,4,6,22,23,5,13,3,7,8,14,20,17,16,19,9,15,21,18,2,10/E:(1,2)(4,5)(6,7)(9,10)(15,16)(27,28)/rA:28nCOCCCCCCOOCCCCONCONCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;w12;s13;d14;s14;s16;d17;s17;s13s19;d20;s19;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.14644
Area:567.011
Solvation:-7.02885
Coulombic:-79.0114
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:382.367
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.97
LogP (Chemaxon):1.92

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Descriptor Annotations

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