 Home > Encyclopedia > 4-amino-12,12-dimethyl-5-pentyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-amino-12,12-dimethyl-5-pentyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-amino-12,12-dimethyl-5-pentyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
99762-73-9
Formula:
C16H23N3OS2
Chemical Name:
4-amino-12,12-dimethyl-5-pentyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC1870367;STL581223;AKOS032400013;MCULE-9779227983;3-amino-6,6-dimethyl-2-pentyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;3-amino-6,6-dimethyl-2-pentyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one;99762-73-9

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4-amino-12,12-dimethyl-5-pentyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

337.5 g/mol

Exact Mass：

337.12825471 g/mol

Characteristics

PSA：

112 Å²

XLogP3：

4.0536

Melting Point：

110 - 111 °C (methanol)

Computed Properties

Molecular Weight:337.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:337.12825471
Monoisotopic Mass:337.12825471
Topological Polar Surface Area:112
Heavy Atom Count:22
Complexity:480
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-12,12-dimethyl-5-pentyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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