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88961-00-6 | 2-Thiophenecarboxamide, 5-[3-(2-phenyl-1-aziridinyl)propyl]-
CAS No: 88961-00-6 Catalog No: AG0047JT MDL No:
Product Description
Catalog Number:
AG0047JT
Chemical Name:
2-Thiophenecarboxamide, 5-[3-(2-phenyl-1-aziridinyl)propyl]-
CAS Number:
88961-00-6
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
IUPAC Name:
5-[3-(2-phenylaziridin-1-yl)propyl]thiophene-2-carboxamide
InChI:
InChI=1S/C16H18N2OS/c17-16(19)15-9-8-13(20-15)7-4-10-18-11-14(18)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11H2,(H2,17,19)
InChI Key:
VULOTKHHGNMHDA-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(s1)CCCN1CC1c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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