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101976-35-6 | 10H-Phenothiazine, 2-chloro-10-(1-methyl-3-piperidinyl)-
CAS No: 101976-35-6 Catalog No: AG00065K MDL No:
Product Description
Catalog Number:
AG00065K
Chemical Name:
10H-Phenothiazine, 2-chloro-10-(1-methyl-3-piperidinyl)-
CAS Number:
101976-35-6
Molecular Formula:
C18H19ClN2S
Molecular Weight:
330.8749
IUPAC Name:
2-chloro-10-(1-methylpiperidin-3-yl)phenothiazine
InChI:
InChI=1S/C18H19ClN2S/c1-20-10-4-5-14(12-20)21-15-6-2-3-7-17(15)22-18-9-8-13(19)11-16(18)21/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChI Key:
SYFXKKWUEQDOCH-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)N1c2ccccc2Sc2c1cc(Cl)cc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.874g/mol
Monoisotopic Mass:
330.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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