Chemical ID: 4448245

CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
Chemical ID:
4448245
Name [?]:
5-[(7-ethyl-1H-indol-3-yl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
InChi [?]:
InChI=1/C17H17N3O3/c1-4-10-6-5-7-12-11(9-18-14(10)12)8-13-15(21)19(2)17(23)20(3)16(13)22/h5-9,18H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,5,4,6,12,10,3,11,7,13,8,20,14,17,9,19,16,21,15,18/E:(2,3)(15,16)(19,20)(21,22)/rA:23nCCCCCCCCNCCCCCONCONCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;d12;s13;d14;s14;s16;d17;s17;s13s19;d20;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.45051
Area:492.913
Solvation:-2.87232
Coulombic:-55.5634
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:311.335
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):2.45

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue