 Home > Encyclopedia > 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide structure

CAS No:
111790-41-1
Formula:
C22H27IN4O5S
Chemical Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide
Synonyms:
Baehpp;

Request for Quotation

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide Basic Attributes

Molecular Weight：

586.44300

Exact Mass：

560.09542 g/mol

Characteristics

PSA：

161.93000

XLogP3：

2.58640

Density：

1.499g/cm3

Boiling Point：

855.8ºC at 760mmHg

Flash Point：

471.4ºC

Refractive Index：

1.606

Vapor Pressure：

9.71E-31mmHg at 25°C

Drug Information

MeSH Entry Terms：

BAEHPP

Computed Properties

Molecular Weight:560.5
XLogP3:1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:560.09542
Monoisotopic Mass:560.09542
Topological Polar Surface Area:145
Heavy Atom Count:31
Complexity:641
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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