Basic information
- Standard SMILES
Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(C(=O)OC(C)(C)C)CC1)O3- InChIKey
CSJUUDMZXBXLQL-INIZCTEOSA-N- Molecular formula
- C22H29N3O4
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- (2S)-4-(8-Methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-ylmethyl)-piperazine 1 carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperazine-1-carboxylate
Names & synonyms
CSJUUDMZXBXLQL-INIZCTEOSA-N(2S)-4-(8-Methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-ylmethyl)-piperazine 1 carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58765330
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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