4-(4-ethoxyphenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
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4-(4-ethoxyphenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
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CAS No:
840518-97-0
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Formula:
C19H20N2O3S2
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Chemical Name:
4-(4-ethoxyphenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
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Synonyms:
ZINC5690590;STK720604;AKOS005529600;MCULE-7596988202;3-(4-ethoxyphenyl)-6,6-dimethyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;840518-97-0
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CAS No:
4-(4-ethoxyphenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one Basic Attributes
388.5 g/mol
388.09153485 g/mol
Computed Properties
Molecular Weight:388.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:388.09153485
Monoisotopic Mass:388.09153485
Topological Polar Surface Area:111
Heavy Atom Count:26
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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