867331-63-3
1,2,4-BENZOTRIAZIN-3-AMINE, 7-(2-CHLORO-5-METHOXYPHENYL)-5-METHYL-N-[4-[2-(1-PYRROLIDINYL)ETHOXY]PHENYL]-
Name1,2,4-BENZOTRIAZIN-3-AMINE, 7-(2-CHLORO-5-METHOXYPHENYL)-5-METHYL-N-[4-[2-(1-PYRROLIDINYL)ETHOXY]PHENYL]-
1Identification
【Name】
1,2,4-BENZOTRIAZIN-3-AMINE, 7-(2-CHLORO-5-METHOXYPHENYL)-5-METHYL-N-[4-[2-(1-PYRROLIDINYL)ETHOXY]PHENYL]-
【CAS】
【MDL】
MFCD16877428
【English Synonyms】
【Formula】
C27 H28 Cl N5 O2
【MolWeight】
490.004
【Inchi】
InChI=1S/C27H28ClN5O2/c1-18-15-19(23-17-22(34-2)9-10-24(23)28)16-25-26(18)30-27(32-31-25)29-20-5-7-21(8-6-20)35-14-13-33-11-3-4-12-33/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32)
【InChIKey】
InChIKey=OJBBZIACVFADED-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5cc(ccc5Cl)OC
【MOL File】
1,2,4-BENZOTRIAZIN-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,4-BENZOTRIAZIN-3-AMINE, 7-(2-CHLORO-5-METHOXYPHENYL)-5-METHYL-N-[4-[2-(1-PYRROLIDINYL)ETHOXY]PHENYL]-.cml