 Home > Encyclopedia > 4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure

CAS No:
896599-44-3
Formula:
C21H25ClN4OS
Chemical Name:
4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2431303;STK599817;AKOS005520604;MCULE-7350417555;3-(3-chlorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;896599-44-3

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4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

417.0 g/mol

Exact Mass：

416.1437603 g/mol

Characteristics

PSA：

76.2 Å²

Computed Properties

Molecular Weight:417.0
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:416.1437603
Monoisotopic Mass:416.1437603
Topological Polar Surface Area:76.2
Heavy Atom Count:28
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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