1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
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![1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dea34147dac7408a8c6ab4af00a7a9fd.png "1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone")
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
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CAS No:
721409-02-5
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Formula:
C22H24N4OS2
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Chemical Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
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Synonyms:
ZINC3224219;AKOS033660391;MCULE-7015903337;Z19114571;2-[(5-{[4-(propan-2-yl)phenyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one;721409-02-5
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CAS No:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Basic Attributes
424.6 g/mol
424.13915375 g/mol
Computed Properties
Molecular Weight:424.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:424.13915375
Monoisotopic Mass:424.13915375
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:541
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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