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

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

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

CAS No:
896830-16-3
Formula:
C21H28N4O2S
Chemical Name:
5-[3-(dimethylamino)propylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2218529;STK579551;AKOS005503644;MCULE-3901346289;2-{[3-(dimethylamino)propyl]amino}-3-(furan-2-ylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;896830-16-3

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

Molecular Weight：

400.5 g/mol

Exact Mass：

400.19329732 g/mol

Characteristics

PSA：

89.3 Å²

Computed Properties

Molecular Weight:400.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:400.19329732
Monoisotopic Mass:400.19329732
Topological Polar Surface Area:89.3
Heavy Atom Count:28
Complexity:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[3-(dimethylamino)propylamino]-4-(furan-2-ylmethyl)-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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