551930-80-4
5-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1-[2-(1H-INDOL-3-YL)ETHYL]-4(1H)-PYRIMIDINONE
Name5-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1-[2-(1H-INDOL-3-YL)ETHYL]-4(1H)-PYRIMIDINONE
FormulaC20 H14 Cl F3 N4 O
1Identification
【Name】
5-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1-[2-(1H-INDOL-3-YL)ETHYL]-4(1H)-PYRIMIDINONE
【CAS】
【MDL】
MFCD02187520
【English Synonyms】
【Formula】
C20 H14 Cl F3 N4 O
【MolWeight】
418.805
【Inchi】
InChI=1S/C20H14ClF3N4O/c21-16-7-13(20(22,23)24)9-26-18(16)15-10-28(11-27-19(15)29)6-5-12-8-25-17-4-2-1-3-14(12)17/h1-4,7-11,25H,5-6H2
【InChIKey】
InChIKey=RLAFHWRSFJKUET-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(c[nH]2)CCn3cc(c(=O)nc3)c4c(cc(cn4)C(F)(F)F)Cl
【MOL File】
5-[3-CHLORO-5-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1-[2-(1H-INDOL-3-YL)ETHYL]-4(1H)-PYRIMIDINONE.cml