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Basic information
- Standard SMILES
Cc1ccc2c(c1)N(CC(=O)C(C)(C)C)C(=O)C(NC(=O)OC(C)(C)C)CN2c1ccccc1- InChIKey
ZDVUICZVNBGHRE-UHFFFAOYSA-N- Molecular formula
- C27H35N3O4
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 465.26275661
Names & identifiers
- Preferred name
- 1-tert-butylcarbonylmethyl-2-oxo-3-tert-butoxycarbonylamino-5-phenyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
- IUPAC
- tert-butyl N-[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
Names & synonyms
SCHEMBL6176919ZDVUICZVNBGHRE-UHFFFAOYSA-N1-tert-butylcarbonylmethyl-2-oxo-3-tert-butoxycarbonylamino-5-phenyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 21202016
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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