7-Methyl-5-(1-phenyl-ethyl)-3b,4,5,6,6a,7-hexahydro-1-thia-5-aza-cyclopenta[alpha]pentalene

HCID 131727045
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1c2sccc2C2CN(C(C)c3ccccc3)CC12
InChIKey
GKKBYFXXJHLXLU-UHFFFAOYSA-N
Molecular formula
C18H21NS
Average molar mass
283.4 g/mol

Names & identifiers

Preferred name
7-Methyl-5-(1-phenyl-ethyl)-3b,4,5,6,6a,7-hexahydro-1-thia-5-aza-cyclopenta[alpha]pentalene
IUPAC
7-methyl-4-(1-phenylethyl)-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene

Names & synonyms

GKKBYFXXJHLXLU-UHFFFAOYSA-N7-Methyl-5-(1-phenyl-ethyl)-3b,4,5,6,6a,7-hexahydro-1-thia-5-aza-cyclopenta[alpha]pentalene

Database identifiers

PubChem CID
131727045

Properties

Computed structural properties

XLogP
4
Topological polar surface area
31.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
20

Related reactions

3 records
New reaction record

Linked notes

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