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828266-39-3 | 10H-Phenothiazine, 10-(cyclopentylcarbonyl)-
CAS No: 828266-39-3 Catalog No: AG004XL5 MDL No:
Product Description
Catalog Number:
AG004XL5
Chemical Name:
10H-Phenothiazine, 10-(cyclopentylcarbonyl)-
CAS Number:
828266-39-3
Molecular Formula:
C18H17NOS
Molecular Weight:
295.3987
IUPAC Name:
cyclopentyl(phenothiazin-10-yl)methanone
InChI:
InChI=1S/C18H17NOS/c20-18(13-7-1-2-8-13)19-14-9-3-5-11-16(14)21-17-12-6-4-10-15(17)19/h3-6,9-13H,1-2,7-8H2
InChI Key:
JPXLUBKKYWSLLR-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)C1CCCC1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.4g/mol
Monoisotopic Mass:
295.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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