[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a96de2199ac54548864e650b2bce2de1.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate
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CAS No:
387840-73-5
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Formula:
C25H22F2N2O3S
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate
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Synonyms:
ZINC3220336;AKOS033702812;MCULE-5138144982;Z19721083;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 2-({4-[(difluoromethyl)sulfanyl]phenyl}amino)benzoate;387840-73-5
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate Basic Attributes
468.5 g/mol
468.13192007 g/mol
Computed Properties
Molecular Weight:468.5
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:468.13192007
Monoisotopic Mass:468.13192007
Topological Polar Surface Area:83.9
Heavy Atom Count:33
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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- Hot Searches
- etoac
- cefepine
- 2-butanol
- chlorphenamine
- nitrogen trifluoride
- cûs
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