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82560-62-1 | METHYL 3-[BUTYL-[(2,2-DIMETHYL-3H-BENZOFURAN-7-YL)OXYCARBONYL-METHYL-AMINO]SULFANYL-AMINO]PROPANOATE
CAS No: 82560-62-1 Catalog No: AG005EXZ MDL No:
Product Description
Catalog Number:
AG005EXZ
Chemical Name:
METHYL 3-[BUTYL-[(2,2-DIMETHYL-3H-BENZOFURAN-7-YL)OXYCARBONYL-METHYL-AMINO]SULFANYL-AMINO]PROPANOATE
CAS Number:
82560-62-1
Molecular Formula:
C20H30N2O5S
Molecular Weight:
410.5276
IUPAC Name:
methyl 3-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]propanoate
InChI:
InChI=1S/C20H30N2O5S/c1-6-7-12-22(13-11-17(23)25-5)28-21(4)19(24)26-16-10-8-9-15-14-20(2,3)27-18(15)16/h8-10H,6-7,11-14H2,1-5H3
InChI Key:
DFUSNFQHXMKSCB-UHFFFAOYSA-N
SMILES:
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCC(=O)OC
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.188g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.529g/mol
Monoisotopic Mass:
410.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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