77563-16-7
PROPANAMIDE, N-(2-BUTOXY-6-BENZOTHIAZOLYL)-N-(1-METHYL-2-(4-(2-PHENYLE THYL)-1-PIPERAZINYL)ETHYL)-, ETHANEDIOATE (1:2)
Name
PROPANAMIDE, N-(2-BUTOXY-6-BENZOTHIAZOLYL)-N-(1-METHYL-2-(4-(2-PHENYLE THYL)-1-PIPERAZINYL)ETHYL)-, ETHANEDIOATE (1:2)
pro_formula
C29 H40 N4 O2 S . 2 C2 H2 O4
pro_molWeight
688.795
1Identification
【Name】
PROPANAMIDE, N-(2-BUTOXY-6-BENZOTHIAZOLYL)-N-(1-METHYL-2-(4-(2-PHENYLE THYL)-1-PIPERAZINYL)ETHYL)-, ETHANEDIOATE (1:2)
【CAS】
【MDL】
MFCD01698744
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H40 N4 O2 S . 2 C2 H2 O4
【pro_molWeight】
688.795
【Inchi】
InChI=1S/C29H40N4O2S.2C2H2O4/c1-4-6-20-35-29-30-26-13-12-25(21-27(26)36-29)33(28(34)5-2)23(3)22-32-18-16-31(17-19-32)15-14-24-10-8-7-9-11-24;2*3-1(4)2(5)6/h7-13,21,23H,4-6,14-20,22H2,1-3H3;2*(H,3,4)(H,5,6)
【InChIKey】
InChIKey=VPYQZWUVLHWWFX-UHFFFAOYSA-N
【SMILES】
CCCCOc1nc2ccc(cc2s1)N(C(C)CN3CCN(CC3)CCc4ccccc4)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
PROPANAMIDE, N-(2-BUTOXY-6-BENZOTHIAZOLYL)-N-(1-METHYL-2-(4-(2-PHENYLE THYL)-1-PIPERAZINYL)ETHYL)-, ETHANEDIOATE (1:2).cml
quick_release
1-[(2-CHLOROPHENYL)METHYL]-1-METHYL-3-PHENYLGUANIDINE
3-[(4-BROMOPHENYL)METHYL]-1-CYCLOPENTYL-3-METHYLGUANIDINE
1-[(3-BROMOPHENYL)METHYL]-3-CYCLOHEXYL-1-METHYLGUANIDINE
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3-CYCLOPENTYL-1,1-BIS(2-METHOXYETHYL)GUANIDINE
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