Pterygospermin
Basic information
- CAS
11054-42-5- Standard SMILES
S=C1OC2(C=CC3(C=C2)OC(=S)N3Cc2ccccc2)N1Cc1ccccc1- InChIKey
OGWNPNIRZURLGD-UHFFFAOYSA-N- Molecular formula
- C22H18N2O2S2
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.08097017
Names & identifiers
- Preferred name
- Pterygospermin
- IUPAC
- 1,8-dibenzyl-3,10-dioxa-1,8-diazadispiro[3.2.37.24]dodeca-5,11-diene-2,9-dithione
Names & synonyms
PterygosperminZY5W9G83WU11054-42-5UNII-ZY5W9G83WURefChem:202771O0BHN4MR9TPTERYGOSPERMIN, CIS-PTERYGOSPERMIN, TRANS-orb3141939T3W4Z653LUDTXSID90911732EX-A13607
Show more names
TN115393,10-Dibenzyl-1,8-dioxa-3,10-diazadispiro[3.2.3~7~.2~4~]dodeca-5,11-diene-2,9-dithione
Database identifiers
- CAS
11054-42-5- PubChem CID
- 72201063
- DTXSID
DTXSID90911732- UNII
- O0BHN4MR9T、T3W4Z653LU、ZY5W9G83WU
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…