5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carbamic acid, 10,11-dihydro-, ethyl ester
Basic information
- CAS
34144-47-3- Standard SMILES
CCOC(=O)NC1c2ccccc2CCc2ncccc21- InChIKey
JHFNPOKNFLVLFL-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carbamic acid, 10,11-dihydro-, ethyl ester
- IUPAC
- ethyl N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)carbamate
Names & synonyms
BRN 042714334144-47-3Ethyl N-(10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyrid-5-yl)carbamate5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carbamic acid, 10,11-dihydro-, ethyl esterRefChem:305301DTXSID20955684Ethyl hydrogen 10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ylcarbonimidate
Database identifiers
- CAS
34144-47-3- PubChem CID
- 214748
- DTXSID
DTXSID20955684
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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