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301353-60-6 | 6,6-Dimethyl-2-methylsulfanyl-3-phenyl-3,5,6,8-tetrahydro-7-oxa-9-thia-1,3-diaza-fluoren-4-one
CAS No: 301353-60-6 Catalog No: AG01F2WT MDL No:
Product Description
Catalog Number:
AG01F2WT
Chemical Name:
6,6-Dimethyl-2-methylsulfanyl-3-phenyl-3,5,6,8-tetrahydro-7-oxa-9-thia-1,3-diaza-fluoren-4-one
CAS Number:
301353-60-6
Molecular Formula:
C18H18N2O2S2
Molecular Weight:
358.4777
IUPAC Name:
12,12-dimethyl-5-methylsulfanyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
InChI:
InChI=1S/C18H18N2O2S2/c1-18(2)9-12-13(10-22-18)24-15-14(12)16(21)20(17(19-15)23-3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChI Key:
YCWGYXITWKGTLE-UHFFFAOYSA-N
SMILES:
CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.474g/mol
Monoisotopic Mass:
358.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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