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1265892-01-0 | 2-Thiophenecarboxylic acid, 3-[[[[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]amino]carbonyl]amino]-
CAS No: 1265892-01-0 Catalog No: AG000SYI MDL No:MFCD18433028
Product Description
Catalog Number:
AG000SYI
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[[[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]amino]carbonyl]amino]-
CAS Number:
1265892-01-0
Molecular Formula:
C13H18N2O5S
Molecular Weight:
314.3574
MDL Number:
MFCD18433028
IUPAC Name:
3-[2-(oxan-2-yloxy)ethylcarbamoylamino]thiophene-2-carboxylic acid
InChI:
InChI=1S/C13H18N2O5S/c16-12(17)11-9(4-8-21-11)15-13(18)14-5-7-20-10-3-1-2-6-19-10/h4,8,10H,1-3,5-7H2,(H,16,17)(H2,14,15,18)
InChI Key:
WFEBOBZHCYLTEZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccsc1C(=O)O)NCCOC1CCCCO1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.356g/mol
Monoisotopic Mass:
314.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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