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101976-47-0 | 10H-Phenothiazine, 2-methoxy-10-[(1-methyl-4-piperidinyl)methyl]-
CAS No: 101976-47-0 Catalog No: AG00065B MDL No:
Product Description
Catalog Number:
AG00065B
Chemical Name:
10H-Phenothiazine, 2-methoxy-10-[(1-methyl-4-piperidinyl)methyl]-
CAS Number:
101976-47-0
Molecular Formula:
C20H24N2OS
Molecular Weight:
340.4824
IUPAC Name:
2-methoxy-10-[(1-methylpiperidin-4-yl)methyl]phenothiazine
InChI:
InChI=1S/C20H24N2OS/c1-21-11-9-15(10-12-21)14-22-17-5-3-4-6-19(17)24-20-8-7-16(23-2)13-18(20)22/h3-8,13,15H,9-12,14H2,1-2H3
InChI Key:
NKTPABJNMJJGDA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)N(CC1CCN(CC1)C)c1c(S2)cccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.161g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.485g/mol
Monoisotopic Mass:
340.161g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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