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Chemical ID: 7385852
Chemical ID:
7385852
Name [?]:
1-(3-chloro-4-methyl-phenyl)-5-[(4-methoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(cc1Cl)N2C(=O)C(=Cc3ccc(cc3)OC)C(=O)NC2=O
InChi [?]:
InChI=1/C19H15ClN2O4/c1-11-3-6-13(10-16(11)20)22-18(24)15(17(23)21-19(22)25)9-12-4-7-14(26-2)8-5-12/h3-10H,1-2H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,21,3,15,19,4,16,18,13,6,2,14,5,17,12,7,22,10,25,8,24,9,23,11,26,20/E:(4,5)(7,8)/rA:26nCCCCCCCClNCOCCCCCCCCOCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s12;d22;s22;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O4 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47171 |
Area: | 554.663 |
Solvation: | -4.39488 |
Coulombic: | -55.6213 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.786 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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