(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N-(2-chloroethyl)carbamate
Basic information
- CAS
54025-76-2- Standard SMILES
CC12CCC3c4ccc(OC(=O)NCCCl)cc4CCC3C1CCC2=O- InChIKey
OPFCLLVMXLRYKN-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO3
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1601214
Names & identifiers
- Preferred name
- (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N-(2-chloroethyl)carbamate
- IUPAC
- (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N-(2-chloroethyl)carbamate
Names & synonyms
54025-76-2NSC147074DTXSID40968857NSC-14707417-Oxoestra-1(10),2,4-trien-3-yl hydrogen (2-chloroethyl)carbonimidate
Database identifiers
- CAS
54025-76-2- PubChem CID
- 287299
- DTXSID
DTXSID40968857
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
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Compound notes
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