Basic information
- CAS
132900-42-6- Standard SMILES
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN)c1ccccc1CC2- InChIKey
HJGLLZCKMKRCLO-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.15829154
Names & identifiers
- Preferred name
- Carbamic acid, (5-(aminoacetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester
- IUPAC
- ethyl N-[11-(2-aminoacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Names & synonyms
132900-42-6Carbamic acid, (5-(aminoacetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester3-Carbethoxyamino-5-aminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepineEthyl (5-(aminoacetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)carbamateDTXSID40157845RefChem:332170DTXCID9080336CHEMBL1497437ethyl N-[11-(2-aminoacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamateethyl 5-(aminoacetyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-ylcarbamateChemDiv1_024422MLS001206543
Show more names
SCHEMBL9732095HMS656G02HMS2836K12BDBM50146372AKOS000548785NCGC00245320-01SMR000517203ST108551
Database identifiers
- CAS
132900-42-6- PubChem CID
- 798455
- DTXSID
DTXSID40157845- ChEMBL
CHEMBL1497437
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
Solubility36.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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