11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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![11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d537494da7dc4d8782534925b1d2c8bb.png "11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one")
11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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CAS No:
956202-00-9
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Formula:
C18H16N4O3S2
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Chemical Name:
11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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Synonyms:
3-(furan-2-ylmethyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;CBKinase1_011124;CBKinase1_023524;ZINC2875776;AKOS001302427;MCULE-2765061521;BRD-K07134941-001-01-5;F3007-0379;11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;956202-00-9
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CAS No:
11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one Basic Attributes
400.5 g/mol
400.06638273 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:400.06638273
Monoisotopic Mass:400.06638273
Topological Polar Surface Area:141
Heavy Atom Count:27
Complexity:713
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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