Basic information
- Standard SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCC[C@@H]3CO)nc21- InChIKey
YCPSFOGPBVRRQM-CYBMUJFWSA-N- Molecular formula
- C19H23N5O2
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 5,11-Dihydro-11-ethyl-2-[(R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
- IUPAC
- 2-ethyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
SCHEMBL8891104YCPSFOGPBVRRQM-CYBMUJFWSA-N5,11-Dihydro-11-ethyl-2-[(R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- PubChem CID
- 54501304
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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