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1422065-93-7 | N-benzyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CAS No: 1422065-93-7 Catalog No: AG01DIZO MDL No:
Product Description
Catalog Number:
AG01DIZO
Chemical Name:
N-benzyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CAS Number:
1422065-93-7
Molecular Formula:
C15H17N3OS
Molecular Weight:
287.3800
IUPAC Name:
N-benzyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
InChI:
InChI=1S/C15H17N3OS/c19-14(17-10-11-4-2-1-3-5-11)15-18-12-6-8-16-9-7-13(12)20-15/h1-5,16H,6-10H2,(H,17,19)
InChI Key:
SMCDOVANZKRRDD-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)CCNCC2)NCc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.381g/mol
Monoisotopic Mass:
287.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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