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1422060-95-4 | N-phenyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS No: 1422060-95-4 Catalog No: AG01DIHP MDL No:
Product Description
Catalog Number:
AG01DIHP
Chemical Name:
N-phenyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS Number:
1422060-95-4
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
IUPAC Name:
N-phenyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
InChI:
InChI=1S/C14H15N3OS/c18-13(16-10-4-2-1-3-5-10)14-17-11-6-8-15-9-7-12(11)19-14/h1-5,15H,6-9H2,(H,16,18)
InChI Key:
HIYYXYVFLVYQRO-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)CCNCC2)Nc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.354g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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