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828266-42-8 | 10H-Phenothiazine, 10-(cyclopentylacetyl)-
CAS No: 828266-42-8 Catalog No: AG004XL3 MDL No:
Product Description
Catalog Number:
AG004XL3
Chemical Name:
10H-Phenothiazine, 10-(cyclopentylacetyl)-
CAS Number:
828266-42-8
Molecular Formula:
C19H19NOS
Molecular Weight:
309.4253
IUPAC Name:
2-cyclopentyl-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C19H19NOS/c21-19(13-14-7-1-2-8-14)20-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)20/h3-6,9-12,14H,1-2,7-8,13H2
InChI Key:
STHUEJSSXJRXMF-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CC1CCCC1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.427g/mol
Monoisotopic Mass:
309.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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