792911-66-1
2-CHLORO-N-((1-HYDROXYCYCLOHEPTYL)METHYL)-5-[1-(2-HYDROXYETHYL)-5-METHYL-1H-PYRAZOL-3-YL]BENZAMIDE
Name2-CHLORO-N-((1-HYDROXYCYCLOHEPTYL)METHYL)-5-[1-(2-HYDROXYETHYL)-5-METHYL-1H-PYRAZOL-3-YL]BENZAMIDE
1Identification
【Name】
2-CHLORO-N-((1-HYDROXYCYCLOHEPTYL)METHYL)-5-[1-(2-HYDROXYETHYL)-5-METHYL-1H-PYRAZOL-3-YL]BENZAMIDE
【CAS】
【MDL】
MFCD11878491
【English Synonyms】
【Formula】
C21 H28 Cl N3 O3
【MolWeight】
405.923
【Inchi】
InChI=1S/C21H28ClN3O3/c1-15-12-19(24-25(15)10-11-26)16-6-7-18(22)17(13-16)20(27)23-14-21(28)8-4-2-3-5-9-21/h6-7,12-13,26,28H,2-5,8-11,14H2,1H3,(H,23,27)
【InChIKey】
InChIKey=LIXPWXKRADRKMY-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1CCO)c2ccc(c(c2)C(=O)NCC3(CCCCCC3)O)Cl
【MOL File】
2-CHLORO-N-((1-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-N-((1-HYDROXYCYCLOHEPTYL)METHYL)-5-[1-(2-HYDROXYETHYL)-5-METHYL-1H-PYRAZOL-3-YL]BENZAMIDE.cml