Basic information
- CAS
121706-11-4- Standard SMILES
CCCCCCc1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C- InChIKey
VUNWDHPWVKPCIS-AVRDEDQJSA-N- Molecular formula
- C23H35N3O2
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.27292737
Names & identifiers
- Preferred name
- Hexyl inolactam V
- IUPAC
- (10S,13S)-5-hexyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Names & synonyms
121706-11-4Hexyl inolactam VCHEMBL309400DTXSID50923937(2S,5S)-9-Hexyl-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol9-Hexyl-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol
Database identifiers
- CAS
121706-11-4- PubChem CID
- 147694
- DTXSID
DTXSID50923937- ChEMBL
CHEMBL309400- Nikkaji
- J401.572J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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