587009-28-7
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[2-(4-BENZOYL-1-PIPERAZINYL)PHENYL]-3-CHLORO-
NameBENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[2-(4-BENZOYL-1-PIPERAZINYL)PHENYL]-3-CHLORO-
FormulaC26 H22 Cl N3 O2 S
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[2-(4-BENZOYL-1-PIPERAZINYL)PHENYL]-3-CHLORO-
【CAS】
【MDL】
MFCD04032388
【English Synonyms】
【Formula】
C26 H22 Cl N3 O2 S
【MolWeight】
475.998
【Inchi】
InChI=1S/C26H22ClN3O2S/c27-23-19-10-4-7-13-22(19)33-24(23)25(31)28-20-11-5-6-12-21(20)29-14-16-30(17-15-29)26(32)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,28,31)
【InChIKey】
InChIKey=DITCSPCSXZWUES-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)N2CCN(CC2)c3ccccc3NC(=O)c4c(c5ccccc5s4)Cl
【MOL File】
BENZO[B]THIOPHENE-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[2-(4-BENZOYL-1-PIPERAZINYL)PHENYL]-3-CHLORO-.cml