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Home > Other Heterocycles > 1422133-94-5
1422133-94-5 | 4-(thiophen-3-yl)-1,8-dioxa-4,11-diazaspiro[5.6]dodecan-3-one
CAS No: 1422133-94-5 Catalog No: AG01DIAN MDL No:
Product Description
Catalog Number:
AG01DIAN
Chemical Name:
4-(thiophen-3-yl)-1,8-dioxa-4,11-diazaspiro[5.6]dodecan-3-one
CAS Number:
1422133-94-5
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
IUPAC Name:
4-thiophen-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
InChI:
InChI=1S/C12H16N2O3S/c15-11-5-17-12(7-13-2-3-16-9-12)8-14(11)10-1-4-18-6-10/h1,4,6,13H,2-3,5,7-9H2
InChI Key:
AGVYLBUROPBNFQ-UHFFFAOYSA-N
SMILES:
O=C1COC2(CN1c1cscc1)CNCCOC2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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