763126-06-3
1-(4-METHOXYPHENYL)-3-(4-(1H-1,2,4-TRIAZOL-1-YL)ANILINO)-1-PROPANONE
Name1-(4-METHOXYPHENYL)-3-(4-(1H-1,2,4-TRIAZOL-1-YL)ANILINO)-1-PROPANONE
1Identification
【Name】
1-(4-METHOXYPHENYL)-3-(4-(1H-1,2,4-TRIAZOL-1-YL)ANILINO)-1-PROPANONE
【CAS】
【MDL】
MFCD05155040
【English Synonyms】
【Formula】
C18 H18 N4 O2
【MolWeight】
322.366
【Inchi】
InChI=1S/C18H18N4O2/c1-24-17-8-2-14(3-9-17)18(23)10-11-20-15-4-6-16(7-5-15)22-13-19-12-21-22/h2-9,12-13,20H,10-11H2,1H3
【InChIKey】
InChIKey=BFDVZGAYLBNQEN-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C(=O)CCNc2ccc(cc2)n3cncn3
【MOL File】
1-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-METHOXYPHENYL)-3-(4-(1H-1,2,4-TRIAZOL-1-YL)ANILINO)-1-PROPANONE.cml