83822-33-7
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE
Name2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE
pro_formulaC16 H18 N2 O2 S
1Identification
【Name】
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE
【CAS】
【MDL】
MFCD01176766
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H18 N2 O2 S
【pro_molWeight】
302.396
【Inchi】
InChI=1S/C16H18N2O2S/c1-20-11-8-6-10(7-9-11)18-16(19)14-12-4-2-3-5-13(12)21-15(14)17/h6-9H,2-5,17H2,1H3,(H,18,19)
【InChIKey】
InChIKey=ZVCHKLYMJWMDHO-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)NC(=O)c2c3c(sc2N)CCCC3
【MOL File】
2-AMINO-4,5,6,7-TETR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE.cml