 Home > Encyclopedia > 4-cyano-N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide

4-cyano-N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide

4-cyano-N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide structure

CAS No:
173140-87-9
Formula:
C28H28N2O5S
Chemical Name:
4-cyano-N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide
Synonyms:
1hpo; U-103,017;

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4-cyano-N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide Basic Attributes

Molecular Weight：

504.59700

Exact Mass：

504.17189317

UNII：

NZ85DS1SMJ

DSSTox ID：

DTXSID30169533

Characteristics

PSA：

128.78000

XLogP3：

6.37258

Density：

1.39g/cm3

Boiling Point：

738ºC

Flash Point：

400.1ºC

Refractive Index：

1.665

Vapor Pressure：

7.22E-23mmHg at 25°C

Computed Properties

Molecular Weight:504.6
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:504.17189317
Monoisotopic Mass:504.17189317
Topological Polar Surface Area:125
Heavy Atom Count:36
Complexity:1070
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-cyano-N-[3-[(S)-cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide

Basic Attributes
Characteristics
Computed Properties

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