 Home > Encyclopedia > 2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide structure

CAS No:
496798-21-1
Formula:
C25H25N3O3S3
Chemical Name:
2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Synonyms:
SMR000147174;MLS000555457;2-(6,6-Dimethyl-4-oxo-3-p-tolyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ylsulf anyl)-N-furan-2-ylmethyl-acetamide;MLS002581787;CHEMBL1523038;C25H25N3O3S3;HMS2346G16;ZINC2307946;STK541530;AKOS005471383;MCULE-3545875683;2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide;496798-21-1

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2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Basic Attributes

Molecular Weight：

511.7 g/mol

Exact Mass：

511.10580519 g/mol

Characteristics

PSA：

154 Å²

Computed Properties

Molecular Weight:511.7
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:511.10580519
Monoisotopic Mass:511.10580519
Topological Polar Surface Area:154
Heavy Atom Count:34
Complexity:815
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

Basic Attributes
Characteristics
Computed Properties

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