Basic information
- Standard SMILES
CC(C)N(C(=O)CN1C(=O)C(Cc2nn(C(=O)OC(C)(C)C)c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1- InChIKey
PECCSOSOUAJPLX-UHFFFAOYSA-N- Molecular formula
- C39H39N5O5
- Average molar mass
- 657.8 g/mol
- Monoisotopic mass
- 657.29511936
Names & identifiers
- Preferred name
- 2-[3-(1-tert-butoxycarbonyl-1H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl-acetamide
- IUPAC
- tert-butyl 3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]methyl]indazole-1-carboxylate
Names & synonyms
PECCSOSOUAJPLX-UHFFFAOYSA-N2-[3-(1-tert-butoxycarbonyl-1H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl-acetamide
Database identifiers
- PubChem CID
- 10770599
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
3 records
Compound notes
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