CID 45316396
PubChem CID
45316396
Structure
Molecular Formula
Status
Non-live
Molecular Weight
374.5 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
5-(diethylsulfamoyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)benzoic acid
InChI=1S/C14H18N2O4S3/c1-3-16(4-2)23(19,20)10-5-6-12(11(9-10)13(17)18)22-14-15-7-8-21-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
PSMRWZLCPMQCTK-UHFFFAOYSA-N
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NCCS2)C(=O)O
C14H18N2O4S3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
374.5 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
374.04287058 g/mol
Property Name
Monoisotopic Mass
Property Value
374.04287058 g/mol
Property Name
Topological Polar Surface Area
Property Value
146A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
555
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS