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Basic information
- Standard SMILES
C[C@@H]1C[C@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNCC4CC4)c4ccc(Cl)cc4)CC3)c21- InChIKey
DJKIPNZIOLJURK-HBGVWJBISA-N- Molecular formula
- C25H32ClN5O2
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.224453
Names & identifiers
- Preferred name
- (S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)-1-(4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)propan-1-one
- IUPAC
- (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
Names & synonyms
SCHEMBL191446DJKIPNZIOLJURK-HBGVWJBISA-N(S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)-1-(4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)propan-1-one
Database identifiers
- PubChem CID
- 59670880
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 663
Related reactions
3 records
Compound notes
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