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88655-36-1 | TETRAHYDRO-1-(2-(3-METHYL-4-(1-METHYLETHOXY)PHENYL)ETHYL)-2-THIOXO-4-1H-PYRIMIDINONE
CAS No: 88655-36-1 Catalog No: AG0047VP MDL No:
Product Description
Catalog Number:
AG0047VP
Chemical Name:
TETRAHYDRO-1-(2-(3-METHYL-4-(1-METHYLETHOXY)PHENYL)ETHYL)-2-THIOXO-4-1H-PYRIMIDINONE
CAS Number:
88655-36-1
Molecular Formula:
C16H22N2O2S
Molecular Weight:
306.4231
IUPAC Name:
1-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one
InChI:
InChI=1S/C16H22N2O2S/c1-11(2)20-14-5-4-13(10-12(14)3)6-8-18-9-7-15(19)17-16(18)21/h4-5,10-11H,6-9H2,1-3H3,(H,17,19,21)
InChI Key:
UHLRZTZHQRWHPG-UHFFFAOYSA-N
SMILES:
O=C1CCN(C(=S)N1)CCc1ccc(c(c1)C)OC(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.14g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.424g/mol
Monoisotopic Mass:
306.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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