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Home > Thiazole > 1422068-64-1
1422068-64-1 | N-(4-methoxybenzyl)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS No: 1422068-64-1 Catalog No: AG01DJUP MDL No:
Product Description
Catalog Number:
AG01DJUP
Chemical Name:
N-(4-methoxybenzyl)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS Number:
1422068-64-1
Molecular Formula:
C16H19N3O2S
Molecular Weight:
317.4060
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
InChI:
InChI=1S/C16H19N3O2S/c1-21-12-4-2-11(3-5-12)10-18-15(20)16-19-13-6-8-17-9-7-14(13)22-16/h2-5,17H,6-10H2,1H3,(H,18,20)
InChI Key:
NTPWZEKEFHZUDE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1nc2c(s1)CCNCC2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.407g/mol
Monoisotopic Mass:
317.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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