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Home > Thiazole > 1422142-99-1
1422142-99-1 | pyrrolidin-1-yl(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)methanone
CAS No: 1422142-99-1 Catalog No: AG01DHOB MDL No:
Product Description
Catalog Number:
AG01DHOB
Chemical Name:
pyrrolidin-1-yl(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)methanone
CAS Number:
1422142-99-1
Molecular Formula:
C12H17N3OS
Molecular Weight:
251.3479
IUPAC Name:
pyrrolidin-1-yl(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)methanone
InChI:
InChI=1S/C12H17N3OS/c16-12(15-7-1-2-8-15)11-14-9-3-5-13-6-4-10(9)17-11/h13H,1-8H2
InChI Key:
DLLRSVDFQYZREO-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)CCNCC2)N1CCCC1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.348g/mol
Monoisotopic Mass:
251.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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