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

HCID 77979720
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Basic information

Standard SMILES
CN(C)CCCCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)OCC1CC21
InChIKey
RBOIDPHQTGODKY-UHFFFAOYSA-N
Molecular formula
C24H31N3O5S
Average molar mass
473.6 g/mol
Monoisotopic mass
473.19844227

Names & identifiers

Preferred name
(1aRS,7bSR)-5-[2-(5-Dimethylaminopentylamino)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
IUPAC
5-[[2-[5-(dimethylamino)pentylamino]phenyl]sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

Names & synonyms

SCHEMBL15608100RBOIDPHQTGODKY-UHFFFAOYSA-N(1aRS,7bSR)-5-[2-(5-Dimethylaminopentylamino)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

Database identifiers

PubChem CID
77979720

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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