Chemical ID: 4334700

Cc1cccc(c1)N2C(=O)C(=Cc3cc(cc(c3O)OC)Cl)C(=O)NC2=O
Chemical ID:
4334700
Name [?]:
5-[(5-chloro-2-hydroxy-3-methoxy-phenyl)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=Cc3cc(cc(c3O)OC)Cl)C(=O)NC2=O
InChi [?]:
InChI=1/C19H15ClN2O5/c1-10-4-3-5-13(6-10)22-18(25)14(17(24)21-19(22)26)8-11-7-12(20)9-15(27-2)16(11)23/h3-9,23H,1-2H3,(H,21,24,26)
InChi Info:
AuxInfo=1/1/N:1,21,4,3,5,7,14,12,16,2,13,15,6,11,17,18,23,9,26,22,25,8,19,24,10,27,20/rA:27nCCCCCCCNCOCCCCCCCCOOCClCONCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s17;s20;s15;s11;d23;s23;s8s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.78238
Area:561.968
Solvation:-5.26682
Coulombic:-71.1953
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:386.786
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.97
LogP (Chemaxon):3.07

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