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Chemical ID: 4638715
Chemical ID:
4638715
Name [?]:
5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cc(c(n1c2ccccc2)C)C=C3C(=O)NC(=O)NC3=O
InChi [?]:
InChI=1/C17H15N3O3/c1-10-8-12(9-14-15(21)18-17(23)19-16(14)22)11(2)20(10)13-6-4-3-5-7-13/h3-9H,1-2H3,(H2,18,19,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,10,9,11,8,12,3,14,2,5,4,7,15,16,22,19,18,21,6,17,23,20/E:(4,5)(6,7)(15,16)(18,19)(21,22)/rA:23nCCCCCNCCCCCCCCCCONCONCO/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;s4;d14;s15;d16;s16;s18;d19;s19;s15s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99119 |
Area: | 493.416 |
Solvation: | -3.34422 |
Coulombic: | -56.1836 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 309.319 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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