587835-11-8
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-6-FLUORO-, 2-[4,5-DIHYDRO-5-(4-METHOXYPHENYL)-3-PHENYL-1H-PYRAZOL-1-YL]-2-OXOETHYL ESTER
Name
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-6-FLUORO-, 2-[4,5-DIHYDRO-5-(4-METHOXYPHENYL)-3-PHENYL-1H-PYRAZOL-1-YL]-2-OXOETHYL ESTER
Formula
C27 H20 Cl F N2 O4 S
MolWeight
522.982
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-6-FLUORO-, 2-[4,5-DIHYDRO-5-(4-METHOXYPHENYL)-3-PHENYL-1H-PYRAZOL-1-YL]-2-OXOETHYL ESTER
【CAS】
【MDL】
MFCD06540095
【English Synonyms】
【Formula】
C27 H20 Cl F N2 O4 S
【MolWeight】
522.982
【Inchi】
InChI=1S/C27H20ClFN2O4S/c1-34-19-10-7-17(8-11-19)22-14-21(16-5-3-2-4-6-16)30-31(22)24(32)15-35-27(33)26-25(28)20-12-9-18(29)13-23(20)36-26/h2-13,22H,14-15H2,1H3
【InChIKey】
InChIKey=AGLDKAUTLRPOLE-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C2CC(=NN2C(=O)COC(=O)c3c(c4ccc(cc4s3)F)Cl)c5ccccc5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F