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101976-38-9 | 10H-Phenothiazine, 2-chloro-10-[(1-methyl-4-piperidinyl)methyl]-
CAS No: 101976-38-9 Catalog No: AG00065H MDL No:
Product Description
Catalog Number:
AG00065H
Chemical Name:
10H-Phenothiazine, 2-chloro-10-[(1-methyl-4-piperidinyl)methyl]-
CAS Number:
101976-38-9
Molecular Formula:
C19H21ClN2S
Molecular Weight:
344.9014
IUPAC Name:
2-chloro-10-[(1-methylpiperidin-4-yl)methyl]phenothiazine
InChI:
InChI=1S/C19H21ClN2S/c1-21-10-8-14(9-11-21)13-22-16-4-2-3-5-18(16)23-19-7-6-15(20)12-17(19)22/h2-7,12,14H,8-11,13H2,1H3
InChI Key:
OYMCWBCGLRFGTG-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)CN1c2ccccc2Sc2c1cc(Cl)cc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.901g/mol
Monoisotopic Mass:
344.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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