Basic information
- CAS
7225-22-1- Standard SMILES
COc1ccc2c3c1CNC(=O)CNC(=O)C(C(C)O)NC(=O)Cc1c(OC)ccc(c1O3)C2(C)C- InChIKey
CNWKQDCTGXXUQJ-UHFFFAOYSA-N- Molecular formula
- C26H31N3O7
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.21620034
Names & identifiers
- Preferred name
- Agn-PC-0low0B
- IUPAC
- 12-(1-hydroxyethyl)-4,17-dimethoxy-24,24-dimethyl-22-oxa-7,10,13-triazatetracyclo[18.3.1.05,23.016,21]tetracosa-1(23),2,4,16,18,20-hexaene-8,11,14-trione
Names & synonyms
7225-22-1AGN-PC-0LOW0BDTXSID0041187911-(1-Hydroxyethyl)-4,15-dimethoxy-20,20-dimethyl-5,6,8,9,11,12-hexahydro-1,18-methanodibenzo[b,n][1,5,8,11]oxatriazacyclopentadecine-7,10,13(14H)-trione
Database identifiers
- CAS
7225-22-1- PubChem CID
- 5232247
- DTXSID
DTXSID00411879
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 836
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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