Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCC(CNc2cnnc(Cl)c2Cl)CC1- InChIKey
QHVWTOSRDBMVSO-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N4O2
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.0963313
Names & identifiers
- Preferred name
- 4-[(5,6-Dichloro-pyridazin-4-ylamino)-methyl]-piperidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[[(5,6-dichloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5358349QHVWTOSRDBMVSO-UHFFFAOYSA-N4-[(5,6-dichloro-pyridazin-4-ylamino)-methyl]-piperidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 10135291
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 443
Related reactions
5 records
Compound notes
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