937639-31-1
P-[[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-[METHYL(METHYLSULFONYL)AMINO]-5-PYRIMIDINYL]METHYL]PHOSPHONIC ACID DIETHYL ESTER
NameP-[[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-[METHYL(METHYLSULFONYL)AMINO]-5-PYRIMIDINYL]METHYL]PHOSPHONIC ACID DIETHYL ESTER
pro_formulaC20 H29 F N3 O5 P S
1Identification
【Name】
P-[[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-[METHYL(METHYLSULFONYL)AMINO]-5-PYRIMIDINYL]METHYL]PHOSPHONIC ACID DIETHYL ESTER
【CAS】
【MDL】
MFCD08694946
【EnglishSynonyms】
【pro_formula】
C20 H29 F N3 O5 P S
【pro_molWeight】
473.503
【Inchi】
InChI=1S/C20H29FN3O5PS/c1-7-28-30(25,29-8-2)13-17-18(14(3)4)22-20(24(5)31(6,26)27)23-19(17)15-9-11-16(21)12-10-15/h9-12,14H,7-8,13H2,1-6H3
【InChIKey】
InChIKey=WBSFJYIYABHYRN-UHFFFAOYSA-N
【SMILES】
CCOP(=O)(Cc1c(nc(nc1C(C)C)N(C)S(=O)(=O)C)c2ccc(cc2)F)OCC
【MOL File】
P-[[4-(4-FLUOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
P-[[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-[METHYL(METHYLSULFONYL)AMINO]-5-PYRIMIDINYL]METHYL]PHOSPHONIC ACID DIETHYL ESTER.cml