N,N-Bis[2-(diphenylphosphino)ethyl]-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
Basic information
- CAS
66561-97-5- Standard SMILES
O=C1NC2CSC(CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)C2N1- InChIKey
YQGVXWZSNIQEOR-UHFFFAOYSA-N- Molecular formula
- C38H43N3O2P2S
- Average molar mass
- 667.8 g/mol
- Monoisotopic mass
- 667.25512279
Names & identifiers
- Preferred name
- N,N-Bis[2-(diphenylphosphino)ethyl]-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
- IUPAC
- N,N-bis(2-diphenylphosphanylethyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
Names & synonyms
66561-97-5NSC312905NSC 312905N,N-Bis[2-(diphenylphosphino)ethyl]-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide1H-Thieno[3,4-d)imidazole-4-pentanamide, N, N-bis[2-(diphenylphosphino )ethyl]hexahydro-2-oxo-, (3a.alpha., 4.beta.,6a.alpha.)-N,N-Bis(2-(diphenylphosphino)ethyl)-5-(2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)pentanamideN,N-Bis(2-(diphenylphosphino)ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamideSCHEMBL13510842N,N-bis(2-diphenylphosphanylethyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide{1H-Thieno[3,4-d)imidazole-4-pentanamide,} N, {N-bis[2-(diphenylphosphino)ethyl]hexahydro-2-oxo-,} (3a.alpha., 4.beta.,6a.alpha.)-{1H-Thieno[3,4-d]imidazole-4-pentanamide,} N, {N-bis[2-(diphenylphosphino)ethyl]hexahydro-2-oxo-}
Database identifiers
- CAS
66561-97-5- PubChem CID
- 494231
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 853
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