 Home > Encyclopedia > ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate structure

CAS No:
1212137-00-2
Formula:
C28H30N4O4S2
Chemical Name:
ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate
Synonyms:
C28H30N4O4S2;ZINC2120260;STK688380;AKOS005601103;1212137-00-2;ethyl 4-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbothioamido)-5-(o-tolylcarbamoyl)thiophene-3-carboxylate;ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)thiophene-3-carboxylate

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ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate Basic Attributes

Molecular Weight：

550.7 g/mol

Exact Mass：

550.17084780 g/mol

Characteristics

PSA：

151 Å²

Computed Properties

Molecular Weight:550.7
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:550.17084780
Monoisotopic Mass:550.17084780
Topological Polar Surface Area:151
Heavy Atom Count:38
Complexity:1030
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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