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Chemical ID: 4275688
Chemical ID:
4275688
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)O)C(=O)NC2=O
InChi [?]:
InChI=1/C19H16N2O5/c1-11-5-3-4-6-14(11)21-18(24)13(17(23)20-19(21)25)9-12-7-8-15(22)16(10-12)26-2/h3-10,22H,1-2H3,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,14,15,12,18,2,13,11,7,16,17,22,9,25,24,8,21,23,10,26,19/rA:26nCCCCCCCNCOCCCCCCCCOCOCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s11;d22;s22;s8s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50224 |
Area: | 530.276 |
Solvation: | -5.75465 |
Coulombic: | -70.9292 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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