Ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl]methyl}-1-piperazinecarboxylate
Basic information
- CAS
6911-45-1- Standard SMILES
CCOC(=O)N1CCN(Cc2cc(CC)sc2NC(=O)c2ccccc2)CC1- InChIKey
NXNBQTKAIDIYCE-UHFFFAOYSA-N- Molecular formula
- C21H27N3O3S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.17731291
Names & identifiers
- Preferred name
- Ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl]methyl}-1-piperazinecarboxylate
- IUPAC
- ethyl 4-[(2-benzamido-5-ethylthiophen-3-yl)methyl]piperazine-1-carboxylate
Names & synonyms
AP-906/42853954DTXSID60988830AKOS000811072ST50111144ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl]methyl}-1-piperazinecarboxylateethyl 4-{[5-ethyl-2-(phenylcarbonylamino)-3-thienyl]methyl}piperazinecarboxyla teN-(3-{[4-(Ethoxycarbonyl)piperazin-1-yl]methyl}-5-ethylthiophen-2-yl)benzenecarboximidic acid
Database identifiers
- CAS
6911-45-1- PubChem CID
- 993496
- DTXSID
DTXSID60988830
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
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