Basic information
- Standard SMILES
COC(=O)C1(CCNc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)CCOCC1- InChIKey
JGHMTFGZTWKWQR-UNMCSNQZSA-N- Molecular formula
- C25H39N3O3
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.29914211
Names & identifiers
- Preferred name
- 4-{2-[2-Methyl-4-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamino]-ethyl}-tetrahydro-pyran-4-carboxylic acid methyl ester
- IUPAC
- methyl 4-[2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]anilino]ethyl]oxane-4-carboxylate
Names & synonyms
SCHEMBL2478076JGHMTFGZTWKWQR-UNMCSNQZSA-N4-{2-[2-Methyl-4-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamino]-ethyl}-tetrahydro-pyran-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67423255
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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