Methyl 4,5,6,7-tetrahydro-2-[[2-[4-(1-methylethyl)phenoxy]acetyl]amino]-6-(phenylmethyl)thieno[2,3-c]pyridine-3-carboxylate
Basic information
- CAS
1172702-28-1- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CCN(Cc1ccccc1)C2- InChIKey
OWEWZTNXOQETQD-UHFFFAOYSA-N- Molecular formula
- C27H30N2O4S
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.19262862
Names & identifiers
- Preferred name
- Methyl 4,5,6,7-tetrahydro-2-[[2-[4-(1-methylethyl)phenoxy]acetyl]amino]-6-(phenylmethyl)thieno[2,3-c]pyridine-3-carboxylate
- IUPAC
- methyl 6-benzyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Names & synonyms
DTXSID5011041891172702-28-1Methyl 4,5,6,7-tetrahydro-2-[[2-[4-(1-methylethyl)phenoxy]acetyl]amino]-6-(phenylmethyl)thieno[2,3-c]pyridine-3-carboxylate
Database identifiers
- CAS
1172702-28-1- PubChem CID
- 43950008
- DTXSID
DTXSID501104189
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 676
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Compound notes
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