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3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile

3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile structure

CAS No:
71701-32-1
Formula:
C28H29N3O4S
Chemical Name:
3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile
Synonyms:
2-Propenenitrile,3-[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-;Cinnamonitrile,4-[ethyl(2-hydroxyethyl)amino]-2-methyl-α-p-tolylsulfonyl-,carbanilate;3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile

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3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile Basic Attributes

Molecular Weight：

503.61256

Exact Mass：

503.61

EC Number：

275-874-1

DSSTox ID：

DTXSID2072411

Characteristics

PSA：

108 Å²

XLogP3：

6.87058

Density：

1.268±0.06 g/cm3(Predicted)

Melting Point：

145 °C (methanol)

3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile Use and Manufacturing

Manufacturing Info：

2-Propenenitrile, 3-[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-: INACTIVE

Computed Properties

Molecular Weight:503.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:503.18787759
Monoisotopic Mass:503.18787759
Topological Polar Surface Area:108
Heavy Atom Count:36
Complexity:890
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

3-[4-[Ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile

SDS

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