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

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

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

CAS No:
99762-65-9
Formula:
C15H21N3O2S
Chemical Name:
4-amino-5-butyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
Oprea1_202967;Oprea1_215840;ZINC2346740;STL323401;AKOS000505344;MCULE-1554206059;3-amino-2-butyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;99762-65-9

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

Molecular Weight：

307.4 g/mol

Exact Mass：

307.13544809 g/mol

Characteristics

PSA：

96.2 Å²

XLogP3：

2.9469

Melting Point：

154 °C (methanol)

Computed Properties

Molecular Weight:307.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:307.13544809
Monoisotopic Mass:307.13544809
Topological Polar Surface Area:96.2
Heavy Atom Count:21
Complexity:466
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-5-butyl-12,12-dimethyl-11-oxa-8-thia-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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