866040-42-8
METHYL 1-(4-METHYL-6-PHENYL-2-PYRIMIDINYL)-5-PENTYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
NameMETHYL 1-(4-METHYL-6-PHENYL-2-PYRIMIDINYL)-5-PENTYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
1Identification
【Name】
METHYL 1-(4-METHYL-6-PHENYL-2-PYRIMIDINYL)-5-PENTYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD04125683
【English Synonyms】
【Formula】
C20 H23 N5 O2
【MolWeight】
365.435
【Inchi】
InChI=1S/C20H23N5O2/c1-4-5-7-12-17-18(19(26)27-3)23-24-25(17)20-21-14(2)13-16(22-20)15-10-8-6-9-11-15/h6,8-11,13H,4-5,7,12H2,1-3H3
【InChIKey】
InChIKey=RCNSCMXKNDEDKV-UHFFFAOYSA-N
【SMILES】
CCCCCc1c(nnn1c2nc(cc(n2)c3ccccc3)C)C(=O)OC
【MOL File】
METHYL 1-(4-METHYL-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 1-(4-METHYL-6-PHENYL-2-PYRIMIDINYL)-5-PENTYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE.cml