Chemical ID: 6648224

COc1ccc(cc1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
6648224
Name [?]:
5-(4-chlorobenzoyl)-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one
SMILES [?]:
COc1ccc(cc1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClF3N2O4/c1-29-13-8-4-10(5-9-13)15-14(16(26)11-2-6-12(20)7-3-11)18(28,19(21,22)23)25-17(27)24-15/h2-9,14-15,28H,1H3,(H2,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,24,28,5,7,25,27,4,8,6,23,26,3,10,9,21,13,11,16,29,17,18,19,15,12,22,14,20,2/E:(2,3)(4,5)(6,7)(8,9)(21,22,23)/rA:29cCOCCCCCCCCCNCONCFFFOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s9s13;s11;s16;s16;s16;s11;s10;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClF3N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:8.06693
Area:559.194
Solvation:-5.91291
Coulombic:-86.0179
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:428.789
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.15
LogP (Chemaxon):3.82

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Descriptor Annotations

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