Methyl 4-[[2-(Methoxycarbonyl)phenyl]thio]-3-nitrobenzoate - CAS 1319194-13-2
Catalog: |
BB007512 |
Product Name: |
Methyl 4-[[2-(Methoxycarbonyl)phenyl]thio]-3-nitrobenzoate |
CAS: |
1319194-13-2 |
Synonyms: |
4-[(2-methoxycarbonylphenyl)thio]-3-nitrobenzoic acid methyl ester; methyl 4-(2-methoxycarbonylphenyl)sulfanyl-3-nitrobenzoate |
IUPAC Name: | methyl 4-(2-methoxycarbonylphenyl)sulfanyl-3-nitrobenzoate |
Description: | Methyl 4-[[2-(Methoxycarbonyl)phenyl]thio]-3-nitrobenzoate (CAS# 1319194-13-2 ) is a useful research chemical. |
Molecular Weight: | 347.34 |
Molecular Formula: | C16H13NO6S |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C16H13NO6S/c1-22-15(18)10-7-8-14(12(9-10)17(20)21)24-13-6-4-3-5-11(13)16(19)23-2/h3-9H,1-2H3 |
InChI Key: | MAQWCDYCXJXWQU-UHFFFAOYSA-N |
LogP: | 3.84240 |
Publication Number | Title | Priority Date |
AU-2018236188-A1 | Process for making hepatitis B core protein modulators | 20170313 |
CA-3056696-A1 | Process for making hepatitis b core protein modulators | 20170313 |
CN-110612300-A | Process for preparing hepatitis B core protein modulators | 20170313 |
EP-3596070-A1 | Process for making hepatitis b core protein modulators | 20170313 |
JP-2020510059-A | Method of making hepatitis B core protein modulator | 20170313 |
Complexity: | 480 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 347.04635831 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 347.04635831 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 124 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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