Chemical ID: 4215646

CCOC(=O)C1=C(NC(=O)NC1c2ccccc2C(F)(F)F)C
Chemical ID:
4215646
Name [?]:
ethyl 4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-3,6-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(NC(=O)NC1c2ccccc2C(F)(F)F)C
InChi [?]:
InChI=1/C15H15F3N2O3/c1-3-23-13(21)11-8(2)19-14(22)20-12(11)9-6-4-5-7-10(9)15(16,17)18/h4-7,12H,3H2,1-2H3,(H2,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,15,16,14,17,7,13,18,6,12,4,9,19,20,21,22,8,11,5,10,3/E:(16,17,18)/rA:23cCCOCOCCNCONCCCCCCCCFFFC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15F3N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.72765
Area:458.028
Solvation:-2.72305
Coulombic:-72.9381
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.286
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):1.45

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Descriptor Annotations

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