Basic information
- Standard SMILES
CN1C[C@H](CCCl)Oc2ncccc2C1=O.Cl- InChIKey
VDLLSNVKAYCVSA-QRPNPIFTSA-N- Molecular formula
- C11H14Cl2N2O2
- Average molar mass
- 277.14 g/mol
Names & identifiers
- Preferred name
- (S)-2-(2-Chloroethyl)2,3-dihydro-4-methylpyrido[3,2-f][1,4]oxazepin-5(4H)-one hydrochloride
- IUPAC
- (2S)-2-(2-chloroethyl)-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one;hydrochloride
Names & synonyms
SCHEMBL10564972VDLLSNVKAYCVSA-QRPNPIFTSA-N(S)-2-(2-Chloroethyl)2,3-dihydro-4-methylpyrido[3,2-f][1,4]oxazepin-5(4H)-one hydrochloride
Database identifiers
- PubChem CID
- 13726440
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
6 records
Compound notes
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