 Home > Encyclopedia > (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide structure

CAS No:
169168-45-0
Formula:
C33H45FN4O6S2
Chemical Name:
(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

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(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide Basic Attributes

Molecular Weight：

676.86200

Exact Mass：

676.27645568 g/mol

DSSTox ID：

DTXSID40168673

Characteristics

PSA：

189.06000

XLogP3：

5.84280

Density：

1.263g/cm3

Boiling Point：

977ºC

Flash Point：

544.7ºC

Refractive Index：

1.579

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:676.9
XLogP3:3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:676.27645568
Monoisotopic Mass:676.27645568
Topological Polar Surface Area:179
Heavy Atom Count:46
Complexity:1150
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-acetamido-3-(4-fluorophenyl)sulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine-6-carboxamide

Basic Attributes
Characteristics
Computed Properties

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