Basic information
- CAS
5899-60-5- Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCc3ccccc3C2)c(C(=O)N2CCCC2)c1- InChIKey
GMBHNJUAYTZLCV-UHFFFAOYSA-N- Molecular formula
- C33H40N4O2
- Average molar mass
- 524.7 g/mol
- Monoisotopic mass
- 524.31512653
Names & identifiers
- Preferred name
- 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
- IUPAC
- 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Names & synonyms
5899-60-51-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]ureaDTXSID40410720N-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-N'-[2,6-di(propan-2-yl)phenyl]urea
Database identifiers
- CAS
5899-60-5- PubChem CID
- 5217138
- DTXSID
DTXSID40410720
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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