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Chemical ID: 4199220
Chemical ID:
4199220
Name [?]:
1-(2-furylmethyl)-5-[(2-methyl-1H-indol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)Cc4ccco4
InChi [?]:
InChI=1/C19H15N3O4/c1-11-14(13-6-2-3-7-16(13)20-11)9-15-17(23)21-19(25)22(18(15)24)10-12-5-4-8-26-12/h2-9,20H,10H2,1H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,6,7,24,23,5,8,25,11,21,2,22,4,3,12,9,13,19,16,10,15,18,14,20,17,26/rA:26nCCCCCCCCCNCCCONCONCOCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;d13;s13;s15;d16;s16;s12s18;d19;s18;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52731 |
Area: | 524.283 |
Solvation: | -4.57976 |
Coulombic: | -64.5503 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 349.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.55 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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