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188646-20-0 | 2H-1,8-Benzothiazecin-7(8H)-one, 5,6-dihydro-3,4,8-trimethyl-, (Z)-
CAS No: 188646-20-0 Catalog No: AG007RGP MDL No:
Product Description
Catalog Number:
AG007RGP
Chemical Name:
2H-1,8-Benzothiazecin-7(8H)-one, 5,6-dihydro-3,4,8-trimethyl-, (Z)-
CAS Number:
188646-20-0
Molecular Formula:
C15H19NOS
Molecular Weight:
261.3825
IUPAC Name:
3,4,8-trimethyl-5,6-dihydro-2H-1,8-benzothiazecin-7-one
InChI:
InChI=1S/C15H19NOS/c1-11-8-9-15(17)16(3)13-6-4-5-7-14(13)18-10-12(11)2/h4-7H,8-10H2,1-3H3
InChI Key:
WOFZSTLYUHVKPL-UHFFFAOYSA-N
SMILES:
O=C1CCC(=C(C)CSc2c(N1C)cccc2)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.383g/mol
Monoisotopic Mass:
261.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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