6-Amino-5-[2-[hexahydro-2-(4-methoxyphenyl)-1H-azepin-1-yl]acetyl]-3-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione
Basic information
- CAS
923751-16-0- Standard SMILES
CCCn1c(N)c(C(=O)CN2CCCCCC2c2ccc(OC)cc2)c(=O)n(C)c1=O- InChIKey
BQEIJQOWFJZDKG-UHFFFAOYSA-N- Molecular formula
- C23H32N4O4
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.24235551
Names & identifiers
- Preferred name
- 6-Amino-5-[2-[hexahydro-2-(4-methoxyphenyl)-1H-azepin-1-yl]acetyl]-3-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 6-amino-5-[2-[2-(4-methoxyphenyl)azepan-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
Names & synonyms
DTXSID0011080296-Amino-5-[2-[hexahydro-2-(4-methoxyphenyl)-1H-azepin-1-yl]acetyl]-3-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione923751-16-0
Database identifiers
- CAS
923751-16-0- PubChem CID
- 16384151
- DTXSID
DTXSID001108029
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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