ChemDB: Chemical Search
Download
Chemical ID: 4191571
Chemical ID:
4191571
Name [?]:
5-[(2-methyl-1H-indol-3-yl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)c4ccccc4
InChi [?]:
InChI=1/C20H15N3O3/c1-12-15(14-9-5-6-10-17(14)21-12)11-16-18(24)22-20(26)23(19(16)25)13-7-3-2-4-8-13/h2-11,21H,1H3,(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,6,7,22,26,5,8,11,2,21,4,3,12,9,13,19,16,10,15,18,14,20,17/E:(3,4)(7,8)/rA:26nCCCCCCCCCNCCCONCONCOCCCCCC/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;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54033 |
Area: | 524.507 |
Solvation: | -3.57234 |
Coulombic: | -59.0492 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 345.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.71 |
LogP (Chemaxon): | 3.03 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|