Basic information
- Standard SMILES
CC1CN(Cc2ccc3c(N)ncnc3c2)C(=O)[C@H](C)N1C(=O)OCc1ccccc1- InChIKey
HGDHLSVSOZSDMY-LYKKTTPLSA-N- Molecular formula
- C23H25N5O3
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- (2S,6RS)-4-(4-amino-quinazolin-7-ylmethyl)-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl (2S)-4-[(4-aminoquinazolin-7-yl)methyl]-2,6-dimethyl-3-oxopiperazine-1-carboxylate
Names & synonyms
SCHEMBL4388098HGDHLSVSOZSDMY-LYKKTTPLSA-N(2S,6RS)-4-(4-amino-quinazolin-7-ylmethyl)-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 57166330
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 641
Related reactions
2 records
Compound notes
Loading…