534573-39-2
1-[[5-(5-CHLORO-2-THIENYL)-3-ISOXAZOLYL]METHYL]-N-[1-(1-METHYLETHYL)-4-PIPERIDINYL]-1H-INDOLE-2-CARBOXAMIDE
Name1-[[5-(5-CHLORO-2-THIENYL)-3-ISOXAZOLYL]METHYL]-N-[1-(1-METHYLETHYL)-4-PIPERIDINYL]-1H-INDOLE-2-CARBOXAMIDE
FormulaC25 H27 Cl N4 O2 S
1Identification
【Name】
1-[[5-(5-CHLORO-2-THIENYL)-3-ISOXAZOLYL]METHYL]-N-[1-(1-METHYLETHYL)-4-PIPERIDINYL]-1H-INDOLE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD18206875
【English Synonyms】
【Formula】
C25 H27 Cl N4 O2 S
【MolWeight】
483.033
【Inchi】
InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)
【InChIKey】
InChIKey=MMGXOGPDBICRQF-UHFFFAOYSA-N
【SMILES】
CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl
【MOL File】
1-[[5-(5-CHLORO-2-TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[[5-(5-CHLORO-2-THIENYL)-3-ISOXAZOLYL]METHYL]-N-[1-(1-METHYLETHYL)-4-PIPERIDINYL]-1H-INDOLE-2-CARBOXAMIDE.cml