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1049775-82-7 | 1-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane hydrochloride
CAS No: 1049775-82-7 Catalog No: AG019PIH MDL No:MFCD07838468
Product Description
Catalog Number:
AG019PIH
Chemical Name:
1-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane hydrochloride
CAS Number:
1049775-82-7
Molecular Formula:
C10H18ClN3O3S
Molecular Weight:
295.7862
MDL Number:
MFCD07838468
IUPAC Name:
4-(1,4-diazepan-1-ylsulfonyl)-3,5-dimethyl-1,2-oxazole;hydrochloride
InChI:
InChI=1S/C10H17N3O3S.ClH/c1-8-10(9(2)16-12-8)17(14,15)13-6-3-4-11-5-7-13;/h11H,3-7H2,1-2H3;1H
InChI Key:
GHYSEZSMMCGHKC-UHFFFAOYSA-N
SMILES:
Cc1onc(c1S(=O)(=O)N1CCNCCC1)C.Cl
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.782g/mol
Monoisotopic Mass:
295.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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