518355-63-0
N-(BENZO[B]THIEN-2-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
NameN-(BENZO[B]THIEN-2-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
1Identification
【Name】
N-(BENZO[B]THIEN-2-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
【CAS】
【MDL】
MFCD16658982
【English Synonyms】
【Formula】
C24 H17 N5 O S
【MolWeight】
423.498
【Inchi】
InChI=1S/C24H17N5OS/c30-24(25-13-16-11-14-5-1-4-8-21(14)31-16)15-9-10-19-20(12-15)27-23(26-19)22-17-6-2-3-7-18(17)28-29-22/h1-12H,13H2,(H,25,30)(H,26,27)(H,28,29)
【InChIKey】
InChIKey=NBYRWCQFZSSGSS-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cc(s2)CNC(=O)c3ccc4c(c3)[nH]c(n4)c5c6ccccc6[nH]n5
【MOL File】
N-(BENZO[B]THIEN-2-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-2-YLMETHYL)-2-(1H-INDAZOL-3-YL)-1H-BENZIMIDAZOLE-6-CARBOXAMIDE.cml