(S)-tert-Butyl 4-(1-cyano-2-(4-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-7-yl)phenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 59568616
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Basic information

Standard SMILES
CN1C(=O)CSc2cc(-c3ccc(C[C@@H](C#N)NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)cc3)ccc21
InChIKey
ZMSVLJHWGIPJCJ-QFIPXVFZSA-N
Molecular formula
C29H34N4O5S
Average molar mass
550.7 g/mol

Names & identifiers

Preferred name
(S)-tert-Butyl 4-(1-cyano-2-(4-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-7-yl)phenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[(1S)-1-cyano-2-[4-(4-methyl-3-oxo-1,4-benzothiazin-7-yl)phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate

Names & synonyms

SCHEMBL9886054ZMSVLJHWGIPJCJ-QFIPXVFZSA-N(S)-tert-Butyl 4-(1-cyano-2-(4-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-7-yl)phenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
59568616

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
146 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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