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Home > Thiazole > 1422139-47-6
1422139-47-6 | N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS No: 1422139-47-6 Catalog No: AG01DJH2 MDL No:
Product Description
Catalog Number:
AG01DJH2
Chemical Name:
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-carboxamide
CAS Number:
1422139-47-6
Molecular Formula:
C15H17N3O2S
Molecular Weight:
303.3794
IUPAC Name:
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
InChI:
InChI=1S/C15H17N3O2S/c1-20-11-4-2-3-10(9-11)17-14(19)15-18-12-5-7-16-8-6-13(12)21-15/h2-4,9,16H,5-8H2,1H3,(H,17,19)
InChI Key:
RJXALUAWCQAIKY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)c1nc2c(s1)CCNCC2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.38g/mol
Monoisotopic Mass:
303.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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