Chemical ID: 4333194

CCOc1c(cc(cc1Cl)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3)Cl
Chemical ID:
4333194
Name [?]:
5-[(3,5-dichloro-4-ethoxy-phenyl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCOc1c(cc(cc1Cl)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C19H14Cl2N2O4/c1-2-27-16-14(20)9-11(10-15(16)21)8-13-17(24)22-19(26)23(18(13)25)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,26,11,6,8,7,21,12,5,9,4,13,19,16,27,10,15,18,14,20,17,3/E:(4,5)(6,7)(9,10)(14,15)(20,21)/rA:27nCCOCCCCCCClCCCONCONCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;w11;s12;d13;s13;s15;d16;s16;s12s18;d19;s18;s21;d22;s23;d24;d21s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14Cl2N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4401
Area:583.735
Solvation:-4.15324
Coulombic:-57.0428
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:405.231
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.98
LogP (Chemaxon):3.74

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Descriptor Annotations

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