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)
Formula
C29 H40 N4 O2 S . 2 C2 H2 O4
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
【English Synonyms】
【Formula】
C29 H40 N4 O2 S . 2 C2 H2 O4
【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】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PROPANAMIDE, N-(2-BUTOXY-6-BENZOTHIAZOLYL)-N-(1-METHYL-2-(4-(2-PHENYLE THYL)-1-PIPERAZINYL)ETHYL)-, ETHANEDIOATE (1:2).cml
Quick Release
2-METHYL-2-([3-(TRIFLUOROMETHYL)PHENYL]METHYL)BUTANOIC ACID
2-[(4-METHOXY-3-NITROPHENYL)METHYL]-2-METHYLBUTANOIC ACID
2-METHYL-2-[(2-METHYL-3-NITROPHENYL)METHYL]BUTANOIC ACID
2-[(2-BROMO-4-NITROPHENYL)METHYL]-2-METHYLBUTANOIC ACID
2-[(3-BROMO-4-METHOXYPHENYL)METHYL]-2-METHYLBUTANOIC ACID
2-[(4-CHLORO-2-NITROPHENYL)METHYL]-2-METHYLBUTANOIC ACID
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