Basic information
- Standard SMILES
CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C(=O)OC(C)(C)C)C3)ccc2n1- InChIKey
NVUOUOSZLSTWSF-UHFFFAOYSA-N- Molecular formula
- C30H37N7O3
- Average molar mass
- 543.7 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 3-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[4-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL2270479NVUOUOSZLSTWSF-UHFFFAOYSA-Ntert-Butyl 3-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 58404993
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 872
Related reactions
5 records
Compound notes
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