 Home > Encyclopedia > 5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
5271-92-1
Formula:
C18H18ClN3OS2
Chemical Name:
5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
5271-92-1;AGN-PC-0KB6WL;DTXSID80365861

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5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

391.9 g/mol

Exact Mass：

391.0579822 g/mol

DSSTox ID：

DTXSID80365861

Characteristics

PSA：

89.4 Å²

Computed Properties

Molecular Weight:391.9
XLogP3:3.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:391.0579822
Monoisotopic Mass:391.0579822
Topological Polar Surface Area:89.4
Heavy Atom Count:25
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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