2-phenyl-3-(2-pyridin-2-ylethoxy)-4-pyrrolidin-1-yl-3-sulfanylidene-6,7-dihydro-5H-1,2,3lambda5-benzodiazaphosphole
Basic information
- CAS
6538-12-1- Standard SMILES
S=P1(OCCc2ccccn2)C2=C(N3CCCC3)CCCC2=NN1c1ccccc1- InChIKey
DCKVVHPUMWHCSE-UHFFFAOYSA-N- Molecular formula
- C23H27N4OPS
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.16431967
Names & identifiers
- Preferred name
- 2-phenyl-3-(2-pyridin-2-ylethoxy)-4-pyrrolidin-1-yl-3-sulfanylidene-6,7-dihydro-5H-1,2,3lambda5-benzodiazaphosphole
- IUPAC
- 2-phenyl-3-(2-pyridin-2-ylethoxy)-4-pyrrolidin-1-yl-3-sulfanylidene-6,7-dihydro-5H-1,2,3λ5-benzodiazaphosphole
Names & synonyms
6538-12-1AC1NPO0VOprea1_649338DTXSID204099502-Phenyl-3-[2-(pyridin-2-yl)ethoxy]-4-(pyrrolidin-1-yl)-3,5,6,7-tetrahydro-2H-1,2,3lambda~5~-benzodiazaphosphole-3-thione
Database identifiers
- CAS
6538-12-1- PubChem CID
- 5207239
- DTXSID
DTXSID20409950
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 727
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Compound notes
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