tert-butyl 1-methyl-8-[(5-methylisoxazol-4-yl)sulfonyl]-1,3,4,8-tetrahydro-2H-[1,4]oxazepino[6,7-e]indole-2-carboxylate

HCID 67242535
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1oncc1S(=O)(=O)n1ccc2c3c(ccc21)OCCN(C(=O)OC(C)(C)C)C3C
InChIKey
FTAFNCZGNPFPGX-UHFFFAOYSA-N
Molecular formula
C21H25N3O6S
Average molar mass
447.5 g/mol

Names & identifiers

Preferred name
tert-butyl 1-methyl-8-[(5-methylisoxazol-4-yl)sulfonyl]-1,3,4,8-tetrahydro-2H-[1,4]oxazepino[6,7-e]indole-2-carboxylate
IUPAC
tert-butyl 1-methyl-8-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine-2-carboxylate

Names & synonyms

SCHEMBL1998988FTAFNCZGNPFPGX-UHFFFAOYSA-Ntert-butyl 1-methyl-8-[(5-methylisoxazol-4-yl)sulfonyl]-1,3,4,8-tetrahydro-2H-[1,4]oxazepino[6,7-e]indole-2-carboxylate

Database identifiers

PubChem CID
67242535

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
112 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

Loading…