9-(4-Bromobenzo[d][1,3]dioxol-5-ylamino)thiazolo[5,4-f]quinazoline-2-carbonitrile

HCID 71277754
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Basic information

Standard SMILES
N#Cc1nc2ccc3ncnc(Nc4ccc5c(c4Br)OCO5)c3c2s1
InChIKey
JDJNSGBCLTVRRN-UHFFFAOYSA-N
Molecular formula
C17H8BrN5O2S
Average molar mass
426.2 g/mol

Names & identifiers

Preferred name
9-(4-Bromobenzo[d][1,3]dioxol-5-ylamino)thiazolo[5,4-f]quinazoline-2-carbonitrile
IUPAC
9-[(4-bromo-1,3-benzodioxol-5-yl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carbonitrile

Names & synonyms

SCHEMBL14733458JDJNSGBCLTVRRN-UHFFFAOYSA-N9-(4-Bromobenzo[d][1,3]dioxol-5-ylamino)thiazolo[5,4-f]quinazoline-2-carbonitrile

Database identifiers

PubChem CID
71277754

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
26

Related reactions

1 records
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Compound notes

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