tert-butyl (+/-)-[(4aR*,8aS*)-8a-(6-amino-2,2-difluorobenzo[1,3]dioxol-4-yl)-4,4a,5,6,8,8a-hexahydro-7-oxa-3-thia-1-azanaphthalen-2-yl]carbamate

HCID 59281180
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc(N)cc4c3OC(F)(F)O4)COCC[C@H]2CS1
InChIKey
MFKOEZCRMSASCQ-YPMLDQLKSA-N
Molecular formula
C19H23F2N3O5S
Average molar mass
443.5 g/mol

Names & identifiers

Preferred name
tert-butyl (+/-)-[(4aR*,8aS*)-8a-(6-amino-2,2-difluorobenzo[1,3]dioxol-4-yl)-4,4a,5,6,8,8a-hexahydro-7-oxa-3-thia-1-azanaphthalen-2-yl]carbamate
IUPAC
tert-butyl N-[(4aR,8aS)-8a-(6-amino-2,2-difluoro-1,3-benzodioxol-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]carbamate

Names & synonyms

tert-butyl (+/-)-[(4aR*,8aS*)-8a-(6-amino-2,2-difluorobenzo[1,3]dioxol-4-yl)-4,4a,5,6,8,8a-hexahydro-7-oxa-3-thia-1-azanaphthalen-2-yl]carbamateSCHEMBL9913426

Database identifiers

PubChem CID
59281180

Properties

Computed structural properties

XLogP
3
Topological polar surface area
130 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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