518355-50-5
N-(BENZO[B]THIEN-3-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
NameN-(BENZO[B]THIEN-3-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
1Identification
【Name】
N-(BENZO[B]THIEN-3-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
【CAS】
【MDL】
MFCD16658983
【English Synonyms】
【Formula】
C24 H17 N5 O S
【MolWeight】
423.498
【Inchi】
InChI=1S/C24H17N5OS/c30-24(25-12-15-13-31-21-8-4-2-5-16(15)21)14-9-10-19-20(11-14)27-23(26-19)22-17-6-1-3-7-18(17)28-29-22/h1-11,13H,12H2,(H,25,30)(H,26,27)(H,28,29)
【InChIKey】
InChIKey=VEKCLODQIKNXIR-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(n[nH]2)c3[nH]c4cc(ccc4n3)C(=O)NCc5csc6c5cccc6
【MOL File】
N-(BENZO[B]THIEN-3-Y….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(BENZO[B]THIEN-3-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE.cml