609794-38-9
2-[[(2E)-3-(2,4-DICHLOROPHENYL)-2-PROPENOYL]AMINO]-N-(3-PYRIDINYLMETHYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Name2-[[(2E)-3-(2,4-DICHLOROPHENYL)-2-PROPENOYL]AMINO]-N-(3-PYRIDINYLMETHYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
FormulaC24 H21 Cl2 N3 O2 S
1Identification
【Name】
2-[[(2E)-3-(2,4-DICHLOROPHENYL)-2-PROPENOYL]AMINO]-N-(3-PYRIDINYLMETHYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03717642
【English Synonyms】
【Formula】
C24 H21 Cl2 N3 O2 S
【MolWeight】
486.421
【Inchi】
InChI=1S/C24H21Cl2N3O2S/c25-17-9-7-16(19(26)12-17)8-10-21(30)29-24-22(18-5-1-2-6-20(18)32-24)23(31)28-14-15-4-3-11-27-13-15/h3-4,7-13H,1-2,5-6,14H2,(H,28,31)(H,29,30)/b10-8+
【InChIKey】
InChIKey=ZXAFYYYPWGMDEC-CSKARUKUSA-N
【SMILES】
c1cc(cnc1)CNC(=O)c2c3c(sc2NC(=O)/C=C/c4ccc(cc4Cl)Cl)CCCC3
【MOL File】
2-[[(2E)-3-(2,4-DICH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[(2E)-3-(2,4-DICHLOROPHENYL)-2-PROPENOYL]AMINO]-N-(3-PYRIDINYLMETHYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE.cml