4-(3-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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![4-(3-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5ba2abab127241b380b73cab21b9caac.png "4-(3-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
4-(3-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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CAS No:
843622-72-0
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Formula:
C21H25ClN4OS
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Chemical Name:
4-(3-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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Synonyms:
3-(3-chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;MLS000762913;CHEMBL1302522;HMS2793B06;STK720600;ZINC20357471;AKOS005529549;MCULE-2706438503;SMR000439677;3-(3-Chloro-phenyl)-7-methyl-2-pentylamino-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidi n-4-one;843622-72-0
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CAS No:
4-(3-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
417.0 g/mol
416.1437603 g/mol
Computed Properties
Molecular Weight:417.0
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:416.1437603
Monoisotopic Mass:416.1437603
Topological Polar Surface Area:76.2
Heavy Atom Count:28
Complexity:603
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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