Methyl 3-Amino-4-[[2-(methoxycarbonyl)phenyl]thio]benzoate - CAS 1319194-14-3
Catalog: |
BB007513 |
Product Name: |
Methyl 3-Amino-4-[[2-(methoxycarbonyl)phenyl]thio]benzoate |
CAS: |
1319194-14-3 |
Synonyms: |
3-amino-4-[(2-methoxycarbonylphenyl)thio]benzoic acid methyl ester; methyl 3-amino-4-(2-methoxycarbonylphenyl)sulfanylbenzoate |
IUPAC Name: | methyl 3-amino-4-(2-methoxycarbonylphenyl)sulfanylbenzoate |
Description: | Methyl 3-Amino-4-[[2-(methoxycarbonyl)phenyl]thio]benzoate (CAS# 1319194-14-3 ) is a useful research chemical. |
Molecular Weight: | 317.36 |
Molecular Formula: | C16H15NO4S |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)OC)N |
InChI: | InChI=1S/C16H15NO4S/c1-20-15(18)10-7-8-14(12(17)9-10)22-13-6-4-3-5-11(13)16(19)21-2/h3-9H,17H2,1-2H3 |
InChI Key: | VDMBVFPDRHFZFI-UHFFFAOYSA-N |
LogP: | 3.57440 |
Publication Number | Title | Priority Date |
CN-109937201-A | Hepatitis B virus regulator | 20160915 |
EP-3512845-A1 | Hepatitis b core protein modulators | 20160915 |
US-2019255067-A1 | Hepatitis b core protein modulators | 20160915 |
WO-2018053157-A1 | Hepatitis b core protein modulators | 20160915 |
US-10987360-B2 | Hepatitis B core protein modulators | 20160915 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.07217913 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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