(1aRS,7bSR)-5-[2-(3-diethylaminopropylamino)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

HCID 78078596
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Basic information

Standard SMILES
CCN(CC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)OCC1CC21
InChIKey
QOWLTVQPWJWRSI-UHFFFAOYSA-N
Molecular formula
C24H31N3O5S
Average molar mass
473.6 g/mol

Names & identifiers

Preferred name
(1aRS,7bSR)-5-[2-(3-diethylaminopropylamino)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
IUPAC
5-[[2-[3-(diethylamino)propylamino]phenyl]sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

Names & synonyms

SCHEMBL15608102QOWLTVQPWJWRSI-UHFFFAOYSA-N(1aRS,7bSR)-5-[2-(3-diethylaminopropylamino)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

Database identifiers

PubChem CID
78078596

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
116 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
33

Related reactions

1 records
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Compound notes

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