Benzyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
Basic information
- CAS
869278-52-4- Standard SMILES
NC(=O)c1c(N)sc2c1CCN(C(=O)OCc1ccccc1)C2- InChIKey
CSPLYXKPMZLUHS-UHFFFAOYSA-N- Molecular formula
- C16H17N3O3S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.09906259
Names & identifiers
- Preferred name
- Benzyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
- IUPAC
- benzyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
- English name
- 2-AMino-3-carbaMoyl-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid benzyl ester
- Molecular formula
- C16H17N3O3S
- Molecular weight
- 331.39
Names & synonyms
869278-52-4Benzyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate2-Amino-3-carbamoyl-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid benzyl esterBenzyl 2-amino-3-carbamoyl-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylatebenzyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylateDTXSID80724454MFCD19441938AKOS015994926DB-364550CS-0456696G100612-Amino-6-Cbz-3-carbamoyl-4,7-dihydro-5H-thieno[2,3-c]pyridine
Show more names
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-(aminocarbonyl)-4,7-dihydro-, phenylmethyl ester
Benzyl2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
Database identifiers
- CAS
869278-52-4- PubChem CID
- 57366405
- DTXSID
DTXSID80724454
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 513.3 · 513.3±50.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.57 · 15.57±0.20(Predicted)
Chemistry & industry
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