404844-11-7
4-CHLOROMETHYL-N-[4-METHYL-3-[[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO]PHENYL]BENZAMIDE
Name4-CHLOROMETHYL-N-[4-METHYL-3-[[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO]PHENYL]BENZAMIDE
1Identification
【Name】
4-CHLOROMETHYL-N-[4-METHYL-3-[[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO]PHENYL]BENZAMIDE
【CAS】
【MDL】
MFCD09841001
【English Synonyms】
【Formula】
C24 H20 Cl N5 O
【MolWeight】
429.909
【Inchi】
InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
【InChIKey】
InChIKey=WUGWDFMSJPJUEZ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl
【MOL File】
4-CHLOROMETHYL-N-[4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLOROMETHYL-N-[4-METHYL-3-[[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO]PHENYL]BENZAMIDE.cml