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1369503-78-5 | 1,4-Thiazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester, 1,1-dioxide
CAS No: 1369503-78-5 Catalog No: AG0012LL MDL No:MFCD19689413
Product Description
Catalog Number:
AG0012LL
Chemical Name:
1,4-Thiazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester, 1,1-dioxide
CAS Number:
1369503-78-5
Molecular Formula:
C10H20N2O4S
Molecular Weight:
264.3418
MDL Number:
MFCD19689413
IUPAC Name:
tert-butyl 6-amino-1,1-dioxo-1,4-thiazepane-4-carboxylate
InChI:
InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-4-5-17(14,15)7-8(11)6-12/h8H,4-7,11H2,1-3H3
InChI Key:
HYCVZLIIBVVNHH-UHFFFAOYSA-N
SMILES:
NC1CN(CCS(=O)(=O)C1)C(=O)OC(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.34g/mol
Monoisotopic Mass:
264.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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