(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
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![(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d741a7a2a00f4e55a3e2e2f7e06c7be3.png "(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate")
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
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CAS No:
762257-76-1
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Formula:
C21H18N4O4S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
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Synonyms:
ZINC2623676;AKOS034438294;MCULE-7872592247;AB00981609-01;Z53798176;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate;762257-76-1
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Basic Attributes
422.5 g/mol
422.10487624 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:422.10487624
Monoisotopic Mass:422.10487624
Topological Polar Surface Area:129
Heavy Atom Count:30
Complexity:828
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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