4-methyl-3-[[2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoic acid
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![4-methyl-3-[[2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/85e4e09ae4a649ae9f7332403b9aaa66.png "4-methyl-3-[[2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoic acid")
4-methyl-3-[[2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoic acid
structure -
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CAS No:
730947-86-1
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Formula:
C22H23N3O4S2
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Chemical Name:
4-methyl-3-[[2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
MLS002156031;CHEMBL1556385;HMS3070F08;ZINC3378566;AKOS033735117;MCULE-6438358863;SMR001238545;AB00721443-01;Z20178584;4-methyl-3-[2-({12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamido]benzoic acid;730947-86-1
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CAS No:
4-methyl-3-[[2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoic acid Basic Attributes
457.6 g/mol
457.11299857 g/mol
Computed Properties
Molecular Weight:457.6
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:457.11299857
Monoisotopic Mass:457.11299857
Topological Polar Surface Area:153
Heavy Atom Count:31
Complexity:761
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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