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[4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate

[4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate structure

CAS No:
114568-26-2
Formula:
C20H20N4O4S
Chemical Name:
[4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate
Synonyms:
Benzoic acid,4-((aminoiminomethyl)amino)-,4-((2-(2,5-dioxo-1-pyrrolidinyl)ethyl)thio)phenyl ester; p-((2-Succinimidoethyl)thio)phenyl p-guanidinobenzoate; E 3123; 4-(2-succinimidoethylthio)phenyl 4-guanidinobenzoate; UNII-2T7W4EA51W; Patamostat; Patamostat [INN];Expand

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[4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate Basic Attributes

Molecular Weight：

412.46200

Exact Mass：

412.12052631 g/mol

UNII：

2T7W4EA51W

DSSTox ID：

DTXSID90150785

Characteristics

PSA：

150.88000

XLogP3：

3.26320

Density：

1.41g/cm3

Boiling Point：

701.5ºC at 760mmHg

Flash Point：

378.1ºC

Refractive Index：

1.678

Vapor Pressure：

1.58E-19mmHg at 25°C

Drug Information

MeSH：

Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)

MeSH Entry Terms：

4-(2-succinimidoethylthio)phenyl 4-guanidinobenzoate

Computed Properties

Molecular Weight:412.5
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:412.12052631
Monoisotopic Mass:412.12052631
Topological Polar Surface Area:153
Heavy Atom Count:29
Complexity:620
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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