2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one
-
![2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dcacea5e68f741d9b2eb50d126c0cb28.png "2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one")
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one
structure -
-
CAS No:
371940-02-2
-
Formula:
C21H19ClN4O2S2
-
Chemical Name:
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one
-
Synonyms:
ZINC2268321;STK094304;STK868295;AKOS005608864;ZINC104302683;MCULE-1853981358;(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(3-hydroxypropyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one;2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(3-hydroxypropyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one;371940-02-2
-
CAS No:
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(3-hydroxypropyliminomethyl)-1H-pyrazol-3-one Basic Attributes
459.0 g/mol
458.0637959 g/mol
Computed Properties
Molecular Weight:459.0
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:458.0637959
Monoisotopic Mass:458.0637959
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:669
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation