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ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure

CAS No:
76981-76-5
Formula:
C20H23NO3S
Chemical Name:
ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Synonyms:
CBMicro_025288;Oprea1_300391;Oprea1_501530;ZINC2286423;CCG-12390;STK096407;AKOS000513934;MCULE-7144173745;ST004076;BIM-0025376.P001;UNM000003524701;SR-01000416523;SR-01000416523-1;ethyl 2-[(phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;76981-76-5;ethyl 2-(2-phenylacetylamino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3 -carboxylate

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ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Basic Attributes

Molecular Weight：

357.5 g/mol

Exact Mass：

357.13986477 g/mol

Characteristics

PSA：

83.6 Å²

XLogP3：

4.4479

Computed Properties

Molecular Weight:357.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:357.13986477
Monoisotopic Mass:357.13986477
Topological Polar Surface Area:83.6
Heavy Atom Count:25
Complexity:464
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[(2-phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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