Chemical ID: 3968240

CCC1(C(=O)NCNC1=O)c2ccccc2
Chemical ID:
3968240
Name [?]:
5-ethyl-5-phenyl-hexahydropyrimidine-4,6-dione
SMILES [?]:
CCC1(C(=O)NCNC1=O)c2ccccc2
InChi [?]:
InChI=1/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,7,11,4,9,3,6,8,5,10/E:(4,5)(6,7)(10,11)(13,14)(15,16)/gE:(1,2)/rA:16nCCCCONCNCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;d9;s3;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.59263
Area:369.404
Solvation:-2.64246
Coulombic:-43.326
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.252
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.57
LogP (Chemaxon):1.49

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