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76696-85-0 | 2,5,6,7-TETRAHYDRO-2-(2-(METHYLTHIO)ETHYL)-6-PHENYL-3H-PYRROLO[1,2-A]I MIDAZOL-3-ONE
CAS No: 76696-85-0 Catalog No: AG005AJM MDL No:
Product Description
Catalog Number:
AG005AJM
Chemical Name:
2,5,6,7-TETRAHYDRO-2-(2-(METHYLTHIO)ETHYL)-6-PHENYL-3H-PYRROLO[1,2-A]I MIDAZOL-3-ONE
CAS Number:
76696-85-0
Molecular Formula:
C15H18N2OS
Molecular Weight:
274.3812
IUPAC Name:
2-(2-methylsulfanylethyl)-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
InChI:
InChI=1S/C15H18N2OS/c1-19-8-7-13-15(18)17-10-12(9-14(17)16-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChI Key:
ZRVOKYVPHIGZEG-UHFFFAOYSA-N
SMILES:
CSCCC1N=C2N(C1=O)CC(C2)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.382g/mol
Monoisotopic Mass:
274.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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