(S)-tert-Butyl 4-(1-cyano-2-(4-(3-(2-methoxyethyl)-2-oxo-2,3-dihydrobenzo[d]thiazol-5-yl)phenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 59568618
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Basic information

Standard SMILES
COCCn1c(=O)sc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)cc3)cc21
InChIKey
FQYMHWSFIBNAJL-QHCPKHFHSA-N
Molecular formula
C30H36N4O6S
Average molar mass
580.7 g/mol

Names & identifiers

Preferred name
(S)-tert-Butyl 4-(1-cyano-2-(4-(3-(2-methoxyethyl)-2-oxo-2,3-dihydrobenzo[d]thiazol-5-yl)phenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[(1S)-1-cyano-2-[4-[3-(2-methoxyethyl)-2-oxo-1,3-benzothiazol-5-yl]phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate

Names & synonyms

SCHEMBL7876879FQYMHWSFIBNAJL-QHCPKHFHSA-N(S)-tert-Butyl 4-(1-cyano-2-(4-(3-(2-methoxyethyl)-2-oxo-2,3-dihydrobenzo[d]thiazol-5-yl)phenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
59568618

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
155 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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