Basic information
- Standard SMILES
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(cn4CCCCNC(=O)c3ccc(N=C=S)cc3)C[C@H]2N(C)C1- InChIKey
HGZQMUVUWZDFBP-FUFSCUOVSA-N- Molecular formula
- C32H37N5O2S
- Average molar mass
- 555.7 g/mol
- Monoisotopic mass
- 555.26679661
Names & identifiers
- Preferred name
- 1-[[[(4-isothiocyanatophenyl)carbonyl]amino]butyl]-N,N-diethyl-D-lysergamide
- IUPAC
- (6aR,9R)-N,N-diethyl-4-[4-[(4-isothiocyanatobenzoyl)amino]butyl]-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
SCHEMBL6572233HGZQMUVUWZDFBP-FUFSCUOVSA-N1-[[[(4-isothiocyanatophenyl)carbonyl]amino]butyl]-N,N-diethyl-D-lysergamide
Database identifiers
- PubChem CID
- 22894554
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 984
Related reactions
2 records
Compound notes
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