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Home > Other Heterocycles > 71698-17-4
71698-17-4 | 4-Thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one,3-(phenoxymethyl)-
CAS No: 71698-17-4 Catalog No: AG005FRQ MDL No:
Product Description
Catalog Number:
AG005FRQ
Chemical Name:
4-Thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one,3-(phenoxymethyl)-
CAS Number:
71698-17-4
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
InChI:
InChI=1S/C11H10N2O2S/c14-10-9-11(13-10)16-8(12-9)6-15-7-4-2-1-3-5-7/h1-5,9,11H,6H2,(H,13,14)
InChI Key:
AOJBXSXDOLCYGD-UHFFFAOYSA-N
SMILES:
O=C1NC2C1N=C(S2)COc1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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