4-[[[4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid
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![4-[[[4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d591b232685434b9c472bd9ff6c1af3.png "4-[[[4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid")
4-[[[4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid
structure -
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CAS No:
380199-29-1
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Formula:
C26H19N3O5S
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Chemical Name:
4-[[[4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid
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Synonyms:
BDBM54936;cid_2391838;HMS2752B12;AKOS034411360;MCULE-2418188153;Z49734871;380199-29-1;4-[({[4-({2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}methyl)phenyl]formamido}imino)methyl]benzoic acid
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CAS No:
4-[[[4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid Basic Attributes
485.5 g/mol
485.10454189 g/mol
Computed Properties
Molecular Weight:485.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:485.10454189
Monoisotopic Mass:485.10454189
Topological Polar Surface Area:125
Heavy Atom Count:35
Complexity:916
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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