 Home > Encyclopedia > 1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea

1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea

1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea structure

CAS No:
339347-35-2
Formula:
C19H21N5O2S2
Chemical Name:
1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea
Synonyms:
ZINC2275608;STK525504;AKOS005459211;MCULE-9954539002;339347-35-2;N-phenyl-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide

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1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea Basic Attributes

Molecular Weight：

415.5 g/mol

Exact Mass：

415.11366728 g/mol

Characteristics

PSA：

138 Å²

Computed Properties

Molecular Weight:415.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:415.11366728
Monoisotopic Mass:415.11366728
Topological Polar Surface Area:138
Heavy Atom Count:28
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-phenyl-3-[(4,12,12-trimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)amino]thiourea

Basic Attributes
Characteristics
Computed Properties

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