Basic information
- Standard SMILES
Cn1ncc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
DXQIHANVZNJAJS-UHFFFAOYSA-N- Molecular formula
- C32H36N6O3
- Average molar mass
- 552.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-[(([1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylate
- IUPAC
- tert-butyl 3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]azetidine-1-carboxylate
Names & synonyms
tert-butyl 3-[(([1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylatetert-butyl 3-[({[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylateSCHEMBL5493786DXQIHANVZNJAJS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21904516
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 824
Related reactions
3 records
Compound notes
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