Hydrazinecarboxylic acid, [(3I(2),16I(2))-3-hydroxy-2a(2)-methyl-5a(2)H-pregn-5-eno[17,16-d]oxazol-20-ylidene]-, ethyl ester
Basic information
- CAS
83456-08-0- Standard SMILES
CCOC(=O)NN=C(C)C12N=C(C)OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC12C- InChIKey
KCBYPMWCOVXGOI-UHFFFAOYSA-N- Molecular formula
- C26H39N3O4
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.29405673
Names & identifiers
- Preferred name
- Hydrazinecarboxylic acid, [(3I(2),16I(2))-3-hydroxy-2a(2)-methyl-5a(2)H-pregn-5-eno[17,16-d]oxazol-20-ylidene]-, ethyl ester
- IUPAC
- ethyl N-[1-(16-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-8-yl)ethylideneamino]carbamate
Names & synonyms
DTXSID801107699Hydrazinecarboxylic acid, [(3I(2),16I(2))-3-hydroxy-2a(2)-methyl-5a(2)H-pregn-5-eno[17,16-d]oxazol-20-ylidene]-, ethyl ester
Database identifiers
- CAS
83456-08-0- PubChem CID
- 165367336
- DTXSID
DTXSID801107699
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 928
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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