Basic information
- CAS
64226-67-1- Standard SMILES
CC(=O)C1CCC2C3CC=C4CC(n5ccc(=O)[nH]c5=O)CCC4(C)C3CCC12C- InChIKey
GPSPXQGHABLLTR-UHFFFAOYSA-N- Molecular formula
- C25H34N2O3
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.25694295
Names & identifiers
- Preferred name
- 1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)pyrimidine-2,4-dione
- IUPAC
- 1-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)pyrimidine-2,4-dione
Names & synonyms
NSC28183164226-67-1DTXSID30314288NSC-2818311-(20-Oxopregn-5-en-3-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
64226-67-1- PubChem CID
- 323083
- DTXSID
DTXSID30314288
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…