[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C(C)(C)C)C1=O- InChIKey
GFSPHYYQOVJRAO-UHFFFAOYSA-N- Molecular formula
- C24H33N3O4
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.24710654
Names & identifiers
- Preferred name
- [5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate
Names & synonyms
[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetic acid ethyl esterSCHEMBL3908014GFSPHYYQOVJRAO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11618776
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
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Related reactions
24 records
Compound notes
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