Chemical ID: 5041702

Cc1cccc(c1)N2C(=O)C(=CN(C)C)C(=O)NC2=O
Chemical ID:
5041702
Name [?]:
5-(dimethylaminomethylene)-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=CN(C)C)C(=O)NC2=O
InChi [?]:
InChI=1/C14H15N3O3/c1-9-5-4-6-10(7-9)17-13(19)11(8-16(2)3)12(18)15-14(17)20/h4-8H,1-3H3,(H,15,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,4,3,5,7,12,2,6,11,16,9,19,18,13,8,17,10,20/E:(2,3)/rA:20nCCCCCCCNCOCCNCCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;s13;s11;d16;s16;s8s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.20837
Area:447.277
Solvation:-2.97357
Coulombic:-53.6728
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:273.287
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.42
LogP (Chemaxon):1.14

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Descriptor Annotations

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