2-Ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-4(5H)-benzoxazolone - CAS 111031-21-1
Catalog: |
BB074135 |
Product Name: |
2-Ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-4(5H)-benzoxazolone |
CAS: |
111031-21-1 |
Synonyms: |
2-Ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-4(5H)-benzoxazolone |
IUPAC Name: | 2-ethyl-6-(2-ethylsulfonylpropyl)-4-methylidene-6,7-dihydro-5H-1,3-benzoxazole |
Molecular Weight: | 299.39 |
Molecular Formula: | C14H21NO4S |
Canonical SMILES: | CCC1=NC2=C(O1)CC(CC2=C)CC(C)S(=O)(=O)CC |
InChI: | InChI=1S/C15H23NO3S/c1-5-14-16-15-10(3)7-12(9-13(15)19-14)8-11(4)20(17,18)6-2/h11-12H,3,5-9H2,1-2,4H3 |
InChI Key: | BOBRFPQXYRPSBQ-UHFFFAOYSA-N |
Complexity: | 454 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.13986477 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.13986477 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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