Chemical ID: 6492636

Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
Chemical ID:
6492636
Name [?]:
1-[4-(4-fluorophenoxy)phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILES [?]:
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
InChi [?]:
InChI=1/C16H12FN3O4/c1-19-14(21)18-15(22)20(16(19)23)11-4-8-13(9-5-11)24-12-6-2-10(17)3-7-12/h2-9H,1H3,(H,18,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,22,12,16,19,23,13,15,21,11,18,14,3,6,9,24,5,2,8,4,7,10,17/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCNCONCONCOCCCCCCOCCCCCCF/rB:s1;s2;d3;s3;s5;d6;s6;s2s8;d9;s8;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12FN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.32385
Area:492.444
Solvation:-3.98725
Coulombic:-69.3561
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.283
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.02
LogP (Chemaxon):3.14

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