Basic information
- CAS
43085-16-1- Standard SMILES
COc1ccc2c(c1)CCC1C2CCC2(C)C1CC[C@@H]2OC(=O)Nc1ccccc1- InChIKey
PQMLUQDWRKGALJ-IIZYZSMLSA-N- Molecular formula
- C26H31NO3
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.23039385
Names & identifiers
- Preferred name
- 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate
- IUPAC
- [(17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate
Names & synonyms
43085-16-1DTXSID509628863-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate3-Methoxyestra-1(10),2,4-trien-17alpha-yl hydrogen phenylcarbonimidate
Database identifiers
- CAS
43085-16-1- PubChem CID
- 39381
- DTXSID
DTXSID50962886
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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