Chemical ID: 5668248

c1cc(ccc1N2C(=O)C(=CNCCN3CCCCC3)C(=NC2=O)O)Cl
Chemical ID:
5668248
Name [?]:
3-(4-chlorophenyl)-6-hydroxy-5-[2-(1-piperidyl)ethylaminomethylene]pyrimidine-2,4-dione
SMILES [?]:
c1cc(ccc1N2C(=O)C(=CNCCN3CCCCC3)C(=NC2=O)O)Cl
InChi [?]:
InChI=1/C18H21ClN4O3/c19-13-4-6-14(7-5-13)23-17(25)15(16(24)21-18(23)26)12-20-8-11-22-9-2-1-3-10-22/h4-7,12,20H,1-3,8-11H2,(H,21,24,26)
InChi Info:
AuxInfo=1/1/N:18,17,19,2,4,1,5,13,16,20,14,11,3,6,10,21,8,23,26,12,22,15,7,25,9,24/E:(2,3)(4,5)(6,7)(9,10)/rA:26nCCCCCCNCOCCNCCNCCCCCCNCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s10;d21;s7s22;d23;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN4O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7971
Area:593.08
Solvation:-3.02991
Coulombic:-68.0522
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:376.837
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.74
LogP (Chemaxon):-0.83

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Descriptor Annotations

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