78033-93-9
3-THIOPHENECARBOXYLIC ACID, 2-(BENZOYLAMINO)-4-PHENYL-, 2-(DIETHYLAMIN O)ETHYL ESTER
Name3-THIOPHENECARBOXYLIC ACID, 2-(BENZOYLAMINO)-4-PHENYL-, 2-(DIETHYLAMIN O)ETHYL ESTER
1Identification
【Name】
3-THIOPHENECARBOXYLIC ACID, 2-(BENZOYLAMINO)-4-PHENYL-, 2-(DIETHYLAMIN O)ETHYL ESTER
【CAS】
【MDL】
MFCD00544558
【English Synonyms】
【Formula】
C24 H26 N2 O3 S
【MolWeight】
422.546
【Inchi】
InChI=1S/C24H26N2O3S/c1-3-26(4-2)15-16-29-24(28)21-20(18-11-7-5-8-12-18)17-30-23(21)25-22(27)19-13-9-6-10-14-19/h5-14,17H,3-4,15-16H2,1-2H3,(H,25,27)
【InChIKey】
InChIKey=MUIXSJIHXCUDLR-UHFFFAOYSA-N
【SMILES】
CCN(CC)CCOC(=O)c1c(csc1NC(=O)c2ccccc2)c3ccccc3
【MOL File】
3-THIOPHENECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-THIOPHENECARBOXYLIC ACID, 2-(BENZOYLAMINO)-4-PHENYL-, 2-(DIETHYLAMIN O)ETHYL ESTER.cml