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1-O-methyl 3-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate

1-O-methyl 3-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate structure

CAS No:
380316-60-9
Formula:
C21H21N3O8
Chemical Name:
1-O-methyl 3-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate
Synonyms:
MLS002249581;CHEMBL1719930;HMS3069F07;ZINC3254558;AKOS033627338;MCULE-2109041388;SMR001317008;Z18511233;1-methyl 3-{[4-(morpholin-4-yl)phenyl]carbamoyl}methyl 5-nitrobenzene-1,3-dicarboxylate;380316-60-9

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1-O-methyl 3-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Basic Attributes

Molecular Weight：

443.4 g/mol

Exact Mass：

443.13286464 g/mol

Characteristics

PSA：

140 Å²

Water Solubility：

11.8 [ug/mL]

Computed Properties

Molecular Weight:443.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:443.13286464
Monoisotopic Mass:443.13286464
Topological Polar Surface Area:140
Heavy Atom Count:32
Complexity:683
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-O-methyl 3-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate

Basic Attributes
Characteristics
Computed Properties
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