 Home > Encyclopedia > 4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one

4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one

4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one structure

CAS No:
727684-66-4
Formula:
C18H22N4OS
Chemical Name:
4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
Synonyms:
8,8-dimethyl-3-(2-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one;MLS000729402;CHEMBL1561583;HMS2723G23;ZINC1432542;STK792086;AKOS001756809;MCULE-8086381628;SMR000307680;727684-66-4

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4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one Basic Attributes

Molecular Weight：

342.5 g/mol

Exact Mass：

342.15143251 g/mol

Characteristics

PSA：

73.2 Å²

XLogP3：

2.6312

Melting Point：

178 - 180 °C (ethanol)

Water Solubility：

>51.4 [ug/mL]

Computed Properties

Molecular Weight:342.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:342.15143251
Monoisotopic Mass:342.15143251
Topological Polar Surface Area:73.2
Heavy Atom Count:24
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: thiamin mononitrate; so3 compound name; t butyl alcohol; cl2o7; clopidogrel bisulfate; formula carbon disulfide

Guide of 4,4-dimethyl-11-(2-phenylethyl)-5-thia-2,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one

Basic Attributes
Characteristics
Computed Properties

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