5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
-
![5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/06a310990bfb4634b2abc523f55d3a14.png "5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
structure -
-
CAS No:
473223-16-4
-
Formula:
C19H12Cl2N4O2S2
-
Chemical Name:
5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
-
Synonyms:
(6Z)-3-(benzylsulfanyl)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;C19H12Cl2N4O2S2;STK387926;ZINC13514578;AKOS005431632;MCULE-1129869649;ST50870921;473223-16-4;6-[(3,5-dichloro-4-hydroxyphenyl)methylene]-5-imino-3-(phenylmethylthio)-4-hyd ro-1,2,4-thiadiazolino[4,5-a]pyrimidin-7-one
-
CAS No:
5-amino-3-benzylsulfanyl-6-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes
463.4 g/mol
461.9778734 g/mol
Computed Properties
Molecular Weight:463.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:461.9778734
Monoisotopic Mass:461.9778734
Topological Polar Surface Area:139
Heavy Atom Count:29
Complexity:935
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation